(3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine

C21H36N2 — CID 134288045

IUPAC(3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine
SMILESCCC(/C=C/CCC/C=C(C)\C=N\C)=C\C=C(/CC)N(C)CC
InChIInChI=1S/C21H36N2/c1-7-20(16-17-21(8-2)23(6)9-3)15-13-11-10-12-14-19(4)18-22-5/h13-18H,7-12H2,1-6H3/b15-13+,19-14-,20-16+,21-17+,22-18+
InChIKeyQQKROSAKWKLPPV-XUUVVUSBSA-N
MW316.53 g/mol
LogP5.94
Rot. Bonds11

About (3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine

(3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine (PubChem CID 134288045) has the molecular formula C21H36N2 and a molecular weight of 316.53 g/mol. Its IUPAC name is (3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine.

Molecular Properties

Compound Name(3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine
PubChem CID134288045
Molecular FormulaC21H36N2
Molecular Weight316.53 g/mol
Exact Mass316.29
IUPAC Name(3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine
SMILESCCC(/C=C/CCC/C=C(C)\C=N\C)=C\C=C(/CC)N(C)CC
InChIInChI=1S/C21H36N2/c1-7-20(16-17-21(8-2)23(6)9-3)15-13-11-10-12-14-19(4)18-22-5/h13-18H,7-12H2,1-6H3/b15-13+,19-14-,20-16+,21-17+,22-18+
InChIKeyQQKROSAKWKLPPV-XUUVVUSBSA-N
XLogP5.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine with MolForge

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Related Compounds

(2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine
CID 153465555
5-ethyltetradeca-4,6-diene
CID 91339198
(3E)-4-methyldeca-3,5-diene
CID 173452678
(E)-N-(2-methoxyethyl)-N-methyl-1-methyliminopent-2-en-3-amine
CID 144867081
(3E,5E,7E)-5-ethyl-7-methylundeca-3,5,7-triene
CID 56936064
(E)-2-N-ethyl-1-N,2-N-dimethylbut-1-ene-1,2-diamine
CID 163252486
N-methyl-N-[(E)-[(2E,4E)-2-methylundeca-2,4-dienylidene]amino]methanamine
CID 24740811
5-ethylundeca-1,4,6-triene
CID 91313816
(4E,9E)-2,4,12-trimethyltrideca-2,4,9,11-tetraene
CID 10420952
2,9-dimethylundeca-3,8-diene
CID 54445642
(2E,4Z,6E)-N,2-dimethylocta-2,4,6-trien-1-imine
CID 134195974
(2Z,4E)-3-methylnona-2,4-dienal
CID 10678430

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine?
The IUPAC name of (3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine (CID 134288045) is (3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine.
What is the SMILES notation for (3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine?
The canonical SMILES for (3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine is CCC(/C=C/CCC/C=C(C)\C=N\C)=C\C=C(/CC)N(C)CC.
What is the InChIKey of (3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine?
The InChIKey is QQKROSAKWKLPPV-XUUVVUSBSA-N. The full InChI is InChI=1S/C21H36N2/c1-7-20(16-17-21(8-2)23(6)9-3)15-13-11-10-12-14-19(4)18-22-5/h13-18H,7-12H2,1-6H3/b15-13+,19-14-,20-16+,21-17+,22-18+.
What are the key properties of (3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine?
(3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine has a molecular weight of 316.53 g/mol, XLogP of 5.94, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,12Z)-N,6-diethyl-N,13-dimethyl-14-methyliminotetradeca-3,5,7,12-tetraen-3-amine is sourced from PubChem (CID 134288045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).