5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-1-amine

C15H27N — CID 146429544

IUPAC5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-1-amine
SMILESCC1C=C(N)C=C(CCCCC(C)(C)C)C1
InChIInChI=1S/C15H27N/c1-12-9-13(11-14(16)10-12)7-5-6-8-15(2,3)4/h10-12H,5-9,16H2,1-4H3
InChIKeyWEUHNCYDVJJKCD-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.40
Rot. Bonds4

About 5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-1-amine

5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-1-amine (PubChem CID 146429544) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-1-amine
PubChem CID146429544
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-1-amine
SMILESCC1C=C(N)C=C(CCCCC(C)(C)C)C1
InChIInChI=1S/C15H27N/c1-12-9-13(11-14(16)10-12)7-5-6-8-15(2,3)4/h10-12H,5-9,16H2,1-4H3
InChIKeyWEUHNCYDVJJKCD-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-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 5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-1-amine (CID 146429544) is 5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-1-amine is CC1C=C(N)C=C(CCCCC(C)(C)C)C1.
What is the InChIKey of 5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is WEUHNCYDVJJKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-12-9-13(11-14(16)10-12)7-5-6-8-15(2,3)4/h10-12H,5-9,16H2,1-4H3.
What are the key properties of 5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-1-amine?
5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 221.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5-dimethylhexyl)-3-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 146429544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).