4-[(1E,5E)-hepta-1,5-dienyl]-N,N-dimethylcyclohexan-1-amine

C15H27N — CID 71070597

IUPAC4-[(1E,5E)-hepta-1,5-dienyl]-N,N-dimethylcyclohexan-1-amine
SMILESC/C=C/CC/C=C/C1CCC(N(C)C)CC1
InChIInChI=1S/C15H27N/c1-4-5-6-7-8-9-14-10-12-15(13-11-14)16(2)3/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3/b5-4+,9-8+
InChIKeyIZTKVIYDXDZVBX-KQWYESAVSA-N
MW221.39 g/mol
LogP4.02
Rot. Bonds5

About 4-[(1E,5E)-hepta-1,5-dienyl]-N,N-dimethylcyclohexan-1-amine

4-[(1E,5E)-hepta-1,5-dienyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 71070597) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 4-[(1E,5E)-hepta-1,5-dienyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(1E,5E)-hepta-1,5-dienyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID71070597
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name4-[(1E,5E)-hepta-1,5-dienyl]-N,N-dimethylcyclohexan-1-amine
SMILESC/C=C/CC/C=C/C1CCC(N(C)C)CC1
InChIInChI=1S/C15H27N/c1-4-5-6-7-8-9-14-10-12-15(13-11-14)16(2)3/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3/b5-4+,9-8+
InChIKeyIZTKVIYDXDZVBX-KQWYESAVSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E,5E)-hepta-1,5-dienyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 4-[(1E,5E)-hepta-1,5-dienyl]-N,N-dimethylcyclohexan-1-amine (CID 71070597) is 4-[(1E,5E)-hepta-1,5-dienyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[(1E,5E)-hepta-1,5-dienyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-[(1E,5E)-hepta-1,5-dienyl]-N,N-dimethylcyclohexan-1-amine is C/C=C/CC/C=C/C1CCC(N(C)C)CC1.
What is the InChIKey of 4-[(1E,5E)-hepta-1,5-dienyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is IZTKVIYDXDZVBX-KQWYESAVSA-N. The full InChI is InChI=1S/C15H27N/c1-4-5-6-7-8-9-14-10-12-15(13-11-14)16(2)3/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3/b5-4+,9-8+.
What are the key properties of 4-[(1E,5E)-hepta-1,5-dienyl]-N,N-dimethylcyclohexan-1-amine?
4-[(1E,5E)-hepta-1,5-dienyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,5E)-hepta-1,5-dienyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 71070597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).