4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine

C18H29N — CID 60799490

IUPAC4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1cccc(CC2(N)CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C18H29N/c1-14-6-5-7-15(12-14)13-18(19)10-8-16(9-11-18)17(2,3)4/h5-7,12,16H,8-11,13,19H2,1-4H3
InChIKeyZUYKTLXDPJYMIC-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.47
Rot. Bonds2

About 4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine

4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 60799490) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID60799490
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1cccc(CC2(N)CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C18H29N/c1-14-6-5-7-15(12-14)13-18(19)10-8-16(9-11-18)17(2,3)4/h5-7,12,16H,8-11,13,19H2,1-4H3
InChIKeyZUYKTLXDPJYMIC-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-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-tert-butyl-1-[(3-fluorophenyl)methyl]cycloheptan-1-amine
CID 65089483
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexane-1-carbonitrile
CID 65402458
3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64733945
1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086856
2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60797418
4-tert-butyl-1-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104735914
1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine
CID 63527430
1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60799051
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107430142
4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
CID 63408034
4-tert-butyl-1-(3-phenylpropyl)cycloheptan-1-amine
CID 65090155

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine (CID 60799490) is 4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine is Cc1cccc(CC2(N)CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of 4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is ZUYKTLXDPJYMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14-6-5-7-15(12-14)13-18(19)10-8-16(9-11-18)17(2,3)4/h5-7,12,16H,8-11,13,19H2,1-4H3.
What are the key properties of 4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine?
4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 60799490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).