N'-(2-phenylcyclohexyl)propane-1,3-diamine

C15H24N2 — CID 60895197

IUPACN'-(2-phenylcyclohexyl)propane-1,3-diamine
SMILESNCCCNC1CCCCC1c1ccccc1
InChIInChI=1S/C15H24N2/c16-11-6-12-17-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-3,7-8,14-15,17H,4-6,9-12,16H2
InChIKeyUGLZWVBBGOMOQB-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.65
Rot. Bonds5

About N'-(2-phenylcyclohexyl)propane-1,3-diamine

N'-(2-phenylcyclohexyl)propane-1,3-diamine (PubChem CID 60895197) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-(2-phenylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-phenylcyclohexyl)propane-1,3-diamine
PubChem CID60895197
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-(2-phenylcyclohexyl)propane-1,3-diamine
SMILESNCCCNC1CCCCC1c1ccccc1
InChIInChI=1S/C15H24N2/c16-11-6-12-17-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-3,7-8,14-15,17H,4-6,9-12,16H2
InChIKeyUGLZWVBBGOMOQB-UHFFFAOYSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
4-[(2-phenylcyclopentyl)amino]butan-1-ol
CID 166226352
N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine
CID 43765298
3-[(2-phenylcyclohexyl)amino]propanoic acid
CID 43774837
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
N-[2-[(2-phenylcyclohexyl)amino]ethyl]methanesulfonamide
CID 43771846
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
N-(2-morpholin-4-ylethyl)-2-phenylcyclohexan-1-amine
CID 43764210
N-cyclopropyl-3-[(2-phenylcyclohexyl)amino]propanamide
CID 79377780
[1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 81343311
N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
CID 63821128
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine
CID 104695087

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylcyclohexyl)propane-1,3-diamine?
The IUPAC name of N'-(2-phenylcyclohexyl)propane-1,3-diamine (CID 60895197) is N'-(2-phenylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-phenylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-phenylcyclohexyl)propane-1,3-diamine is NCCCNC1CCCCC1c1ccccc1.
What is the InChIKey of N'-(2-phenylcyclohexyl)propane-1,3-diamine?
The InChIKey is UGLZWVBBGOMOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c16-11-6-12-17-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-3,7-8,14-15,17H,4-6,9-12,16H2.
What are the key properties of N'-(2-phenylcyclohexyl)propane-1,3-diamine?
N'-(2-phenylcyclohexyl)propane-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 60895197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).