(3E,5Z)-2-cyclohexa-1,5-dien-1-yl-N,3-dimethylhepta-3,5-dien-1-amine

C15H23N — CID 89029257

IUPAC(3E,5Z)-2-cyclohexa-1,5-dien-1-yl-N,3-dimethylhepta-3,5-dien-1-amine
SMILESC/C=C\C=C(/C)C(CNC)C1=CCCC=C1
InChIInChI=1S/C15H23N/c1-4-5-9-13(2)15(12-16-3)14-10-7-6-8-11-14/h4-5,7,9-11,15-16H,6,8,12H2,1-3H3/b5-4-,13-9+
InChIKeyKVBHKVWIDKUADZ-UVJMCMIKSA-N
MW217.36 g/mol
LogP3.62
Rot. Bonds5

About (3E,5Z)-2-cyclohexa-1,5-dien-1-yl-N,3-dimethylhepta-3,5-dien-1-amine

(3E,5Z)-2-cyclohexa-1,5-dien-1-yl-N,3-dimethylhepta-3,5-dien-1-amine (PubChem CID 89029257) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (3E,5Z)-2-cyclohexa-1,5-dien-1-yl-N,3-dimethylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E,5Z)-2-cyclohexa-1,5-dien-1-yl-N,3-dimethylhepta-3,5-dien-1-amine
PubChem CID89029257
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(3E,5Z)-2-cyclohexa-1,5-dien-1-yl-N,3-dimethylhepta-3,5-dien-1-amine
SMILESC/C=C\C=C(/C)C(CNC)C1=CCCC=C1
InChIInChI=1S/C15H23N/c1-4-5-9-13(2)15(12-16-3)14-10-7-6-8-11-14/h4-5,7,9-11,15-16H,6,8,12H2,1-3H3/b5-4-,13-9+
InChIKeyKVBHKVWIDKUADZ-UVJMCMIKSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.62
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 (3E,5Z)-2-cyclohexa-1,5-dien-1-yl-N,3-dimethylhepta-3,5-dien-1-amine?
The IUPAC name of (3E,5Z)-2-cyclohexa-1,5-dien-1-yl-N,3-dimethylhepta-3,5-dien-1-amine (CID 89029257) is (3E,5Z)-2-cyclohexa-1,5-dien-1-yl-N,3-dimethylhepta-3,5-dien-1-amine.
What is the SMILES notation for (3E,5Z)-2-cyclohexa-1,5-dien-1-yl-N,3-dimethylhepta-3,5-dien-1-amine?
The canonical SMILES for (3E,5Z)-2-cyclohexa-1,5-dien-1-yl-N,3-dimethylhepta-3,5-dien-1-amine is C/C=C\C=C(/C)C(CNC)C1=CCCC=C1.
What is the InChIKey of (3E,5Z)-2-cyclohexa-1,5-dien-1-yl-N,3-dimethylhepta-3,5-dien-1-amine?
The InChIKey is KVBHKVWIDKUADZ-UVJMCMIKSA-N. The full InChI is InChI=1S/C15H23N/c1-4-5-9-13(2)15(12-16-3)14-10-7-6-8-11-14/h4-5,7,9-11,15-16H,6,8,12H2,1-3H3/b5-4-,13-9+.
What are the key properties of (3E,5Z)-2-cyclohexa-1,5-dien-1-yl-N,3-dimethylhepta-3,5-dien-1-amine?
(3E,5Z)-2-cyclohexa-1,5-dien-1-yl-N,3-dimethylhepta-3,5-dien-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2-cyclohexa-1,5-dien-1-yl-N,3-dimethylhepta-3,5-dien-1-amine is sourced from PubChem (CID 89029257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).