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Chemical ID: 4294949
Chemical ID:
4294949
Name [?]:
N-butyl-5-(2-naphthyloxy)pentan-1-amine
SMILES [?]:
CCCCNCCCCCOc1ccc2ccccc2c1
InChi [?]:
InChI=1/C19H27NO/c1-2-3-13-20-14-7-4-8-15-21-19-12-11-17-9-5-6-10-18(17)16-19/h5-6,9-12,16,20H,2-4,7-8,13-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,17,18,7,9,16,19,14,13,4,6,10,21,15,20,12,5,11/rA:21nCCCCNCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H27NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3822 |
Area: | 552.71 |
Solvation: | -2.43551 |
Coulombic: | -19.6021 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 285.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.24 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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