(Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine

C16H26N2 — CID 166685339

IUPAC(Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine
SMILESCC(=C/N)/N=C(C)/C=C/C=C(\C)C1CCCCC1
InChIInChI=1S/C16H26N2/c1-13(16-10-5-4-6-11-16)8-7-9-14(2)18-15(3)12-17/h7-9,12,16H,4-6,10-11,17H2,1-3H3/b9-7+,13-8+,15-12-,18-14+
InChIKeyPELQSHDHICPVMF-ZJWGLKPBSA-N
MW246.40 g/mol
LogP4.35
Rot. Bonds4

About (Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine

(Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine (PubChem CID 166685339) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine
PubChem CID166685339
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine
SMILESCC(=C/N)/N=C(C)/C=C/C=C(\C)C1CCCCC1
InChIInChI=1S/C16H26N2/c1-13(16-10-5-4-6-11-16)8-7-9-14(2)18-15(3)12-17/h7-9,12,16H,4-6,10-11,17H2,1-3H3/b9-7+,13-8+,15-12-,18-14+
InChIKeyPELQSHDHICPVMF-ZJWGLKPBSA-N
XLogP4.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine?
The IUPAC name of (Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine (CID 166685339) is (Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine?
The canonical SMILES for (Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine is CC(=C/N)/N=C(C)/C=C/C=C(\C)C1CCCCC1.
What is the InChIKey of (Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine?
The InChIKey is PELQSHDHICPVMF-ZJWGLKPBSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(16-10-5-4-6-11-16)8-7-9-14(2)18-15(3)12-17/h7-9,12,16H,4-6,10-11,17H2,1-3H3/b9-7+,13-8+,15-12-,18-14+.
What are the key properties of (Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine?
(Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine has a molecular weight of 246.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[(3E,5E)-6-cyclohexylhepta-3,5-dien-2-ylidene]amino]prop-1-en-1-amine is sourced from PubChem (CID 166685339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).