(1E,3Z,5Z)-4-cyclohexylhepta-1,3,5-trien-1-amine

C13H21N — CID 88863263

IUPAC(1E,3Z,5Z)-4-cyclohexylhepta-1,3,5-trien-1-amine
SMILESC/C=C\C(=C/C=C/N)C1CCCCC1
InChIInChI=1S/C13H21N/c1-2-7-12(10-6-11-14)13-8-4-3-5-9-13/h2,6-7,10-11,13H,3-5,8-9,14H2,1H3/b7-2-,11-6+,12-10+
InChIKeyDUPXEUQVNRKICL-AVBZYJSFSA-N
MW191.32 g/mol
LogP3.54
Rot. Bonds3

About (1E,3Z,5Z)-4-cyclohexylhepta-1,3,5-trien-1-amine

(1E,3Z,5Z)-4-cyclohexylhepta-1,3,5-trien-1-amine (PubChem CID 88863263) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (1E,3Z,5Z)-4-cyclohexylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z,5Z)-4-cyclohexylhepta-1,3,5-trien-1-amine
PubChem CID88863263
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(1E,3Z,5Z)-4-cyclohexylhepta-1,3,5-trien-1-amine
SMILESC/C=C\C(=C/C=C/N)C1CCCCC1
InChIInChI=1S/C13H21N/c1-2-7-12(10-6-11-14)13-8-4-3-5-9-13/h2,6-7,10-11,13H,3-5,8-9,14H2,1H3/b7-2-,11-6+,12-10+
InChIKeyDUPXEUQVNRKICL-AVBZYJSFSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
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 (1E,3Z,5Z)-4-cyclohexylhepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z,5Z)-4-cyclohexylhepta-1,3,5-trien-1-amine (CID 88863263) is (1E,3Z,5Z)-4-cyclohexylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z,5Z)-4-cyclohexylhepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z,5Z)-4-cyclohexylhepta-1,3,5-trien-1-amine is C/C=C\C(=C/C=C/N)C1CCCCC1.
What is the InChIKey of (1E,3Z,5Z)-4-cyclohexylhepta-1,3,5-trien-1-amine?
The InChIKey is DUPXEUQVNRKICL-AVBZYJSFSA-N. The full InChI is InChI=1S/C13H21N/c1-2-7-12(10-6-11-14)13-8-4-3-5-9-13/h2,6-7,10-11,13H,3-5,8-9,14H2,1H3/b7-2-,11-6+,12-10+.
What are the key properties of (1E,3Z,5Z)-4-cyclohexylhepta-1,3,5-trien-1-amine?
(1E,3Z,5Z)-4-cyclohexylhepta-1,3,5-trien-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-4-cyclohexylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 88863263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).