(3Z,5Z)-N-buta-1,3-dien-2-yl-N-[(3-ethyl-1,3-dimethylcyclohexyl)methyl]-5-ethylideneocta-1,3-dien-2-amine

C25H41N — CID 135266687

IUPAC(3Z,5Z)-N-buta-1,3-dien-2-yl-N-[(3-ethyl-1,3-dimethylcyclohexyl)methyl]-5-ethylideneocta-1,3-dien-2-amine
SMILESC=CC(=C)N(CC1(C)CCCC(C)(CC)C1)C(=C)/C=C\C(=C/C)CCC
InChIInChI=1S/C25H41N/c1-9-14-23(11-3)16-15-22(6)26(21(5)10-2)20-25(8)18-13-17-24(7,12-4)19-25/h10-11,15-16H,2,5-6,9,12-14,17-20H2,1,3-4,7-8H3/b16-15-,23-11-
InChIKeyODDDXCHGEIQJLU-OZGUQGSOSA-N
MW355.61 g/mol
LogP7.80
Rot. Bonds10

About (3Z,5Z)-N-buta-1,3-dien-2-yl-N-[(3-ethyl-1,3-dimethylcyclohexyl)methyl]-5-ethylideneocta-1,3-dien-2-amine

(3Z,5Z)-N-buta-1,3-dien-2-yl-N-[(3-ethyl-1,3-dimethylcyclohexyl)methyl]-5-ethylideneocta-1,3-dien-2-amine (PubChem CID 135266687) has the molecular formula C25H41N and a molecular weight of 355.61 g/mol. Its IUPAC name is (3Z,5Z)-N-buta-1,3-dien-2-yl-N-[(3-ethyl-1,3-dimethylcyclohexyl)methyl]-5-ethylideneocta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-buta-1,3-dien-2-yl-N-[(3-ethyl-1,3-dimethylcyclohexyl)methyl]-5-ethylideneocta-1,3-dien-2-amine
PubChem CID135266687
Molecular FormulaC25H41N
Molecular Weight355.61 g/mol
Exact Mass355.32
IUPAC Name(3Z,5Z)-N-buta-1,3-dien-2-yl-N-[(3-ethyl-1,3-dimethylcyclohexyl)methyl]-5-ethylideneocta-1,3-dien-2-amine
SMILESC=CC(=C)N(CC1(C)CCCC(C)(CC)C1)C(=C)/C=C\C(=C/C)CCC
InChIInChI=1S/C25H41N/c1-9-14-23(11-3)16-15-22(6)26(21(5)10-2)20-25(8)18-13-17-24(7,12-4)19-25/h10-11,15-16H,2,5-6,9,12-14,17-20H2,1,3-4,7-8H3/b16-15-,23-11-
InChIKeyODDDXCHGEIQJLU-OZGUQGSOSA-N
XLogP7.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-buta-1,3-dien-2-yl-N-[(3-ethyl-1,3-dimethylcyclohexyl)methyl]-5-ethylideneocta-1,3-dien-2-amine?
The IUPAC name of (3Z,5Z)-N-buta-1,3-dien-2-yl-N-[(3-ethyl-1,3-dimethylcyclohexyl)methyl]-5-ethylideneocta-1,3-dien-2-amine (CID 135266687) is (3Z,5Z)-N-buta-1,3-dien-2-yl-N-[(3-ethyl-1,3-dimethylcyclohexyl)methyl]-5-ethylideneocta-1,3-dien-2-amine.
What is the SMILES notation for (3Z,5Z)-N-buta-1,3-dien-2-yl-N-[(3-ethyl-1,3-dimethylcyclohexyl)methyl]-5-ethylideneocta-1,3-dien-2-amine?
The canonical SMILES for (3Z,5Z)-N-buta-1,3-dien-2-yl-N-[(3-ethyl-1,3-dimethylcyclohexyl)methyl]-5-ethylideneocta-1,3-dien-2-amine is C=CC(=C)N(CC1(C)CCCC(C)(CC)C1)C(=C)/C=C\C(=C/C)CCC.
What is the InChIKey of (3Z,5Z)-N-buta-1,3-dien-2-yl-N-[(3-ethyl-1,3-dimethylcyclohexyl)methyl]-5-ethylideneocta-1,3-dien-2-amine?
The InChIKey is ODDDXCHGEIQJLU-OZGUQGSOSA-N. The full InChI is InChI=1S/C25H41N/c1-9-14-23(11-3)16-15-22(6)26(21(5)10-2)20-25(8)18-13-17-24(7,12-4)19-25/h10-11,15-16H,2,5-6,9,12-14,17-20H2,1,3-4,7-8H3/b16-15-,23-11-.
What are the key properties of (3Z,5Z)-N-buta-1,3-dien-2-yl-N-[(3-ethyl-1,3-dimethylcyclohexyl)methyl]-5-ethylideneocta-1,3-dien-2-amine?
(3Z,5Z)-N-buta-1,3-dien-2-yl-N-[(3-ethyl-1,3-dimethylcyclohexyl)methyl]-5-ethylideneocta-1,3-dien-2-amine has a molecular weight of 355.61 g/mol, XLogP of 7.80, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-buta-1,3-dien-2-yl-N-[(3-ethyl-1,3-dimethylcyclohexyl)methyl]-5-ethylideneocta-1,3-dien-2-amine is sourced from PubChem (CID 135266687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).