(3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine

C18H28N2 — CID 146359455

IUPAC(3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine
SMILESC=CC(C)C/C=C(C)/C=N/C/C=C\C=C/C(=C)NCC
InChIInChI=1S/C18H28N2/c1-6-16(3)12-13-17(4)15-19-14-10-8-9-11-18(5)20-7-2/h6,8-11,13,15-16,20H,1,5,7,12,14H2,2-4H3/b10-8-,11-9-,17-13+,19-15+
InChIKeyDDTXVBRQULQFKT-AOODQJNBSA-N
MW272.44 g/mol
LogP4.45
Rot. Bonds10

About (3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine

(3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine (PubChem CID 146359455) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine
PubChem CID146359455
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name(3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine
SMILESC=CC(C)C/C=C(C)/C=N/C/C=C\C=C/C(=C)NCC
InChIInChI=1S/C18H28N2/c1-6-16(3)12-13-17(4)15-19-14-10-8-9-11-18(5)20-7-2/h6,8-11,13,15-16,20H,1,5,7,12,14H2,2-4H3/b10-8-,11-9-,17-13+,19-15+
InChIKeyDDTXVBRQULQFKT-AOODQJNBSA-N
XLogP4.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine (CID 146359455) is (3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine is C=CC(C)C/C=C(C)/C=N/C/C=C\C=C/C(=C)NCC.
What is the InChIKey of (3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine?
The InChIKey is DDTXVBRQULQFKT-AOODQJNBSA-N. The full InChI is InChI=1S/C18H28N2/c1-6-16(3)12-13-17(4)15-19-14-10-8-9-11-18(5)20-7-2/h6,8-11,13,15-16,20H,1,5,7,12,14H2,2-4H3/b10-8-,11-9-,17-13+,19-15+.
What are the key properties of (3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine?
(3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine has a molecular weight of 272.44 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-[[(2E)-2,5-dimethylhepta-2,6-dienylidene]amino]-N-ethylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 146359455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).