(3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine

C19H35N — CID 167179405

IUPAC(3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine
SMILESC=C/C=C\C=C(/N)C(C)(CCCC)CCCCCCC
InChIInChI=1S/C19H35N/c1-5-8-11-12-14-17-19(4,16-10-7-3)18(20)15-13-9-6-2/h6,9,13,15H,2,5,7-8,10-12,14,16-17,20H2,1,3-4H3/b13-9-,18-15-
InChIKeyNIYOVQZLHDUSIP-RCOCBCEFSA-N
MW277.50 g/mol
LogP6.13
Rot. Bonds12

About (3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine

(3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine (PubChem CID 167179405) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is (3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine.

Molecular Properties

Compound Name(3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine
PubChem CID167179405
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name(3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine
SMILESC=C/C=C\C=C(/N)C(C)(CCCC)CCCCCCC
InChIInChI=1S/C19H35N/c1-5-8-11-12-14-17-19(4,16-10-7-3)18(20)15-13-9-6-2/h6,9,13,15H,2,5,7-8,10-12,14,16-17,20H2,1,3-4H3/b13-9-,18-15-
InChIKeyNIYOVQZLHDUSIP-RCOCBCEFSA-N
XLogP6.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-5,5-dimethylundeca-1,3-diene
CID 46919509
(3Z)-N-ethenyl-6-hexyl-6-methyldodeca-1,3-dien-5-imine
CID 138502761
(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene
CID 173021038
octadeca-1,3,5,7,9,11-hexaene
CID 90906281
tricosa-1,3,5,7-tetraene
CID 90704431
henicosa-1,3,5,7,9,11,13-heptaene
CID 90898845
hexacosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91421045
(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene
CID 173020960
hecta-1,3,5,7,9,11,13,15,17,19-decaene
CID 173395996
2-(aminomethyl)-2-methylnonanamide
CID 167073051
(3S)-3-ethyl-3-methylnonan-2-one
CID 177059310
3-carbamoylpentadecan-3-yl prop-2-enoate
CID 141278138

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine?
The IUPAC name of (3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine (CID 167179405) is (3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine.
What is the SMILES notation for (3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine?
The canonical SMILES for (3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine is C=C/C=C\C=C(/N)C(C)(CCCC)CCCCCCC.
What is the InChIKey of (3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine?
The InChIKey is NIYOVQZLHDUSIP-RCOCBCEFSA-N. The full InChI is InChI=1S/C19H35N/c1-5-8-11-12-14-17-19(4,16-10-7-3)18(20)15-13-9-6-2/h6,9,13,15H,2,5,7-8,10-12,14,16-17,20H2,1,3-4H3/b13-9-,18-15-.
What are the key properties of (3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine?
(3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine has a molecular weight of 277.50 g/mol, XLogP of 6.13, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-butyl-7-methyltetradeca-1,3,5-trien-6-amine is sourced from PubChem (CID 167179405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).