4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine

C18H29N — CID 116926323

IUPAC4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCCC(C)c1ccc(CC2CCC(NC)CC2)cc1
InChIInChI=1S/C18H29N/c1-4-14(2)17-9-5-15(6-10-17)13-16-7-11-18(19-3)12-8-16/h5-6,9-10,14,16,18-19H,4,7-8,11-13H2,1-3H3
InChIKeyDWIPVZZYVBKLOT-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.52
Rot. Bonds5

About 4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine

4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 116926323) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine
PubChem CID116926323
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine
SMILESCCC(C)c1ccc(CC2CCC(NC)CC2)cc1
InChIInChI=1S/C18H29N/c1-4-14(2)17-9-5-15(6-10-17)13-16-7-11-18(19-3)12-8-16/h5-6,9-10,14,16,18-19H,4,7-8,11-13H2,1-3H3
InChIKeyDWIPVZZYVBKLOT-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-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

Related Compounds

4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926303
N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
CID 82262237
N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine
CID 116926358
N-methyl-4-(pyridin-4-ylmethyl)cyclohexan-1-amine
CID 73440193
4-[(4-butan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 115149482
4-[(4-butan-2-ylphenyl)methyl]-1,2,2,6,6-pentamethylpiperidine
CID 122533659
4-N-(4-butan-2-ylphenyl)cyclohexane-1,4-diamine
CID 79724803
N-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine
CID 82262683
N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308491
N-methyl-3-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 64505421
2-[(4-butan-2-ylphenyl)methyl]piperidine
CID 82341703
4-butan-2-yl-N-cyclopentylaniline
CID 43681058

Frequently Asked Questions

What is the IUPAC name of 4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine (CID 116926323) is 4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine is CCC(C)c1ccc(CC2CCC(NC)CC2)cc1.
What is the InChIKey of 4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is DWIPVZZYVBKLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-14(2)17-9-5-15(6-10-17)13-16-7-11-18(19-3)12-8-16/h5-6,9-10,14,16,18-19H,4,7-8,11-13H2,1-3H3.
What are the key properties of 4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine?
4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116926323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).