Chemical ID: 7061758

CCCCN(CCCC)CCCOc1ccccc1
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

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Descriptor Annotations

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