N-[(3E)-hepta-1,3,6-trien-3-yl]-N,4-dimethylcyclohexan-1-amine

C15H25N — CID 143189836

IUPACN-[(3E)-hepta-1,3,6-trien-3-yl]-N,4-dimethylcyclohexan-1-amine
SMILESC=CC/C=C(\C=C)N(C)C1CCC(C)CC1
InChIInChI=1S/C15H25N/c1-5-7-8-14(6-2)16(4)15-11-9-13(3)10-12-15/h5-6,8,13,15H,1-2,7,9-12H2,3-4H3/b14-8+
InChIKeyKIGJWFTZEQZZKT-RIYZIHGNSA-N
MW219.37 g/mol
LogP4.14
Rot. Bonds5

About N-[(3E)-hepta-1,3,6-trien-3-yl]-N,4-dimethylcyclohexan-1-amine

N-[(3E)-hepta-1,3,6-trien-3-yl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 143189836) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-[(3E)-hepta-1,3,6-trien-3-yl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3E)-hepta-1,3,6-trien-3-yl]-N,4-dimethylcyclohexan-1-amine
PubChem CID143189836
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-[(3E)-hepta-1,3,6-trien-3-yl]-N,4-dimethylcyclohexan-1-amine
SMILESC=CC/C=C(\C=C)N(C)C1CCC(C)CC1
InChIInChI=1S/C15H25N/c1-5-7-8-14(6-2)16(4)15-11-9-13(3)10-12-15/h5-6,8,13,15H,1-2,7,9-12H2,3-4H3/b14-8+
InChIKeyKIGJWFTZEQZZKT-RIYZIHGNSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3E)-hepta-1,3,6-trien-3-yl]-N,4-dimethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-hepta-1,3,6-trien-3-yl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(3E)-hepta-1,3,6-trien-3-yl]-N,4-dimethylcyclohexan-1-amine (CID 143189836) is N-[(3E)-hepta-1,3,6-trien-3-yl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3E)-hepta-1,3,6-trien-3-yl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(3E)-hepta-1,3,6-trien-3-yl]-N,4-dimethylcyclohexan-1-amine is C=CC/C=C(\C=C)N(C)C1CCC(C)CC1.
What is the InChIKey of N-[(3E)-hepta-1,3,6-trien-3-yl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is KIGJWFTZEQZZKT-RIYZIHGNSA-N. The full InChI is InChI=1S/C15H25N/c1-5-7-8-14(6-2)16(4)15-11-9-13(3)10-12-15/h5-6,8,13,15H,1-2,7,9-12H2,3-4H3/b14-8+.
What are the key properties of N-[(3E)-hepta-1,3,6-trien-3-yl]-N,4-dimethylcyclohexan-1-amine?
N-[(3E)-hepta-1,3,6-trien-3-yl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-hepta-1,3,6-trien-3-yl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 143189836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).