4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine

C17H28N2 — CID 115149728

IUPAC4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(c1ccc(C(C)(C)C)cc1)C1CCC(N)CC1
InChIInChI=1S/C17H28N2/c1-17(2,3)13-5-9-15(10-6-13)19(4)16-11-7-14(18)8-12-16/h5-6,9-10,14,16H,7-8,11-12,18H2,1-4H3
InChIKeyGVIDMXMBDHSVFE-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.69
Rot. Bonds2

About 4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine

4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 115149728) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID115149728
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
SMILESCN(c1ccc(C(C)(C)C)cc1)C1CCC(N)CC1
InChIInChI=1S/C17H28N2/c1-17(2,3)13-5-9-15(10-6-13)19(4)16-11-7-14(18)8-12-16/h5-6,9-10,14,16H,7-8,11-12,18H2,1-4H3
InChIKeyGVIDMXMBDHSVFE-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine 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-N-methyl-4-N-(4-methylphenyl)cyclohexane-1,4-diamine
CID 78917483
cis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine
CID 146194427
4-(4-tert-butyl-N-methylanilino)cyclohexan-1-one
CID 117029678
4-N-(5-tert-butylpyrimidin-2-yl)-4-N-methylcyclohexane-1,4-diamine
CID 116977647
4-N-(2-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 117029186
1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine
CID 115117215
4-N-methyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine
CID 79115562
4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine
CID 23793066
N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline
CID 115213893
3-(4-tert-butyl-N-methylanilino)cyclobutane-1-carboxylic acid
CID 117042841
2-[(4-aminocyclohexyl)-methylamino]-5-(trifluoromethyl)benzonitrile
CID 79113655
N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline
CID 59230557

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine (CID 115149728) is 4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine is CN(c1ccc(C(C)(C)C)cc1)C1CCC(N)CC1.
What is the InChIKey of 4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is GVIDMXMBDHSVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)13-5-9-15(10-6-13)19(4)16-11-7-14(18)8-12-16/h5-6,9-10,14,16H,7-8,11-12,18H2,1-4H3.
What are the key properties of 4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-tert-butylphenyl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 115149728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).