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Chemical ID: 7061758
Chemical ID:
7061758
Name [?]:
N-butyl-N-(3-phenoxypropyl)butan-1-amine
SMILES [?]:
CCCCN(CCCC)CCCOc1ccccc1
InChi [?]:
InChI=1/C17H29NO/c1-3-5-13-18(14-6-4-2)15-10-16-19-17-11-8-7-9-12-17/h7-9,11-12H,3-6,10,13-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,2,8,3,7,17,16,18,11,15,19,4,6,10,12,14,5,13/E:(1,2)(3,4)(5,6)(8,9)(11,12)(13,14)/rA:19nCCCCNCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H29NO |
All Atoms: | 48 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0682 |
Area: | 535.259 |
Solvation: | -2.31329 |
Coulombic: | -15.4684 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 263.418 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.85 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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