4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine

C17H28N2 — CID 62313676

IUPAC4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine
SMILESCC(C)CC(NC1CCC(N)CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-13(2)12-17(14-6-4-3-5-7-14)19-16-10-8-15(18)9-11-16/h3-7,13,15-17,19H,8-12,18H2,1-2H3
InChIKeyPUAAYRGTEFZCBU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.63
Rot. Bonds5

About 4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine

4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine (PubChem CID 62313676) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine
PubChem CID62313676
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine
SMILESCC(C)CC(NC1CCC(N)CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-13(2)12-17(14-6-4-3-5-7-14)19-16-10-8-15(18)9-11-16/h3-7,13,15-17,19H,8-12,18H2,1-2H3
InChIKeyPUAAYRGTEFZCBU-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-N-(3-methyl-1-phenylbutyl)cyclohexane-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-[(3-methyl-1-phenylbutyl)amino]cyclohexane-1-carboxylic acid
CID 65054767
1-methyl-N-(3-methyl-1-phenylbutyl)piperidin-4-amine
CID 43216052
4-N-(1-phenylpentyl)cyclohexane-1,4-diamine
CID 62319614
(2S)-2-[(3-aminocyclopentyl)amino]-2-phenylethanol
CID 107862243
4-ethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 55194080
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
2-N-cyclopropyl-4-phenylpentane-1,2-diamine
CID 62070521
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]ethanol
CID 103784113
1-benzyl-N-(3-methyl-1-phenylbutyl)piperidin-3-amine
CID 113223834
2,2-dimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine
CID 79860147
(2R)-N-cyclopropyl-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-phenylacetamide
CID 8646021
4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
CID 62314574

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine (CID 62313676) is 4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine is CC(C)CC(NC1CCC(N)CC1)c1ccccc1.
What is the InChIKey of 4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine?
The InChIKey is PUAAYRGTEFZCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)12-17(14-6-4-3-5-7-14)19-16-10-8-15(18)9-11-16/h3-7,13,15-17,19H,8-12,18H2,1-2H3.
What are the key properties of 4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine?
4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methyl-1-phenylbutyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 62313676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).