4-(5,6-dimethylhept-3-en-3-yl)-N-(5-methylhexa-1,5-dienyl)-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine

C25H39N — CID 123140285

IUPAC4-(5,6-dimethylhept-3-en-3-yl)-N-(5-methylhexa-1,5-dienyl)-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
SMILESC=C(C)CCC=CN(C(=C)C)C1=CCC(C(=CC(C)C(C)C)CC)C=C1
InChIInChI=1S/C25H39N/c1-9-23(18-22(8)20(4)5)24-13-15-25(16-14-24)26(21(6)7)17-11-10-12-19(2)3/h11,13,15-18,20,22,24H,2,6,9-10,12,14H2,1,3-5,7-8H3
InChIKeyFCMAGSQFGKZUQK-UHFFFAOYSA-N
MW353.59 g/mol
LogP7.78
Rot. Bonds10

About 4-(5,6-dimethylhept-3-en-3-yl)-N-(5-methylhexa-1,5-dienyl)-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine

4-(5,6-dimethylhept-3-en-3-yl)-N-(5-methylhexa-1,5-dienyl)-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine (PubChem CID 123140285) has the molecular formula C25H39N and a molecular weight of 353.59 g/mol. Its IUPAC name is 4-(5,6-dimethylhept-3-en-3-yl)-N-(5-methylhexa-1,5-dienyl)-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-(5,6-dimethylhept-3-en-3-yl)-N-(5-methylhexa-1,5-dienyl)-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
PubChem CID123140285
Molecular FormulaC25H39N
Molecular Weight353.59 g/mol
Exact Mass353.31
IUPAC Name4-(5,6-dimethylhept-3-en-3-yl)-N-(5-methylhexa-1,5-dienyl)-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
SMILESC=C(C)CCC=CN(C(=C)C)C1=CCC(C(=CC(C)C(C)C)CC)C=C1
InChIInChI=1S/C25H39N/c1-9-23(18-22(8)20(4)5)24-13-15-25(16-14-24)26(21(6)7)17-11-10-12-19(2)3/h11,13,15-18,20,22,24H,2,6,9-10,12,14H2,1,3-5,7-8H3
InChIKeyFCMAGSQFGKZUQK-UHFFFAOYSA-N
XLogP7.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-3-[(6-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylideneocta-1,3,6-trien-2-amine
CID 132123933
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylidene-3-(3-methyl-2-prop-1-en-2-ylpentyl)octa-1,3,6-trien-2-amine
CID 132123939
(3Z)-N-ethyl-3-[(E)-2-(4-fluorocyclohex-3-en-1-yl)prop-1-enyl]-4-methyl-N-propylhexa-1,3-dien-2-amine
CID 166689100
1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine
CID 170359675
N,N,7-triethyl-3,11-dimethyltrideca-2,4,10-trien-1-amine
CID 53697344
N,N-diethyl 3,7,11-trimethyldodeca-2,4,10-trienylamine
CID 53837124
N,N-diethyl-3,7,11-trimethyltrideca-2,4,10-trien-1-amine
CID 53979130
1-butan-2-yl-2H-quinolizine
CID 57646169
1,4-Diethyl-2,2-dimethyl-5,6-di(propan-2-yl)pyridine
CID 58291480
(E)-2-[(5Z)-2,4-bis(ethenyl)-5-ethylidenecyclohexen-1-yl]-N,N-dimethylethenamine
CID 58312541
1,2,2,3-Tetraethylpyridine
CID 67814030
N-tert-butyl-N-[(Z)-3-cyclohex-3-en-1-ylprop-2-enyl]-3,3-dimethylbut-1-en-2-amine
CID 68302019

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylhept-3-en-3-yl)-N-(5-methylhexa-1,5-dienyl)-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-(5,6-dimethylhept-3-en-3-yl)-N-(5-methylhexa-1,5-dienyl)-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine (CID 123140285) is 4-(5,6-dimethylhept-3-en-3-yl)-N-(5-methylhexa-1,5-dienyl)-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-(5,6-dimethylhept-3-en-3-yl)-N-(5-methylhexa-1,5-dienyl)-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-(5,6-dimethylhept-3-en-3-yl)-N-(5-methylhexa-1,5-dienyl)-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine is C=C(C)CCC=CN(C(=C)C)C1=CCC(C(=CC(C)C(C)C)CC)C=C1.
What is the InChIKey of 4-(5,6-dimethylhept-3-en-3-yl)-N-(5-methylhexa-1,5-dienyl)-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is FCMAGSQFGKZUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N/c1-9-23(18-22(8)20(4)5)24-13-15-25(16-14-24)26(21(6)7)17-11-10-12-19(2)3/h11,13,15-18,20,22,24H,2,6,9-10,12,14H2,1,3-5,7-8H3.
What are the key properties of 4-(5,6-dimethylhept-3-en-3-yl)-N-(5-methylhexa-1,5-dienyl)-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
4-(5,6-dimethylhept-3-en-3-yl)-N-(5-methylhexa-1,5-dienyl)-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 353.59 g/mol, XLogP of 7.78, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylhept-3-en-3-yl)-N-(5-methylhexa-1,5-dienyl)-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 123140285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).