1-N-cyclohexyl-3-phenylpropane-1,2-diamine

C15H24N2 — CID 61149481

IUPAC1-N-cyclohexyl-3-phenylpropane-1,2-diamine
SMILESNC(CNC1CCCCC1)Cc1ccccc1
InChIInChI=1S/C15H24N2/c16-14(11-13-7-3-1-4-8-13)12-17-15-9-5-2-6-10-15/h1,3-4,7-8,14-15,17H,2,5-6,9-12,16H2
InChIKeyPFIRQGLDWKVSFE-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.48
Rot. Bonds5

About 1-N-cyclohexyl-3-phenylpropane-1,2-diamine

1-N-cyclohexyl-3-phenylpropane-1,2-diamine (PubChem CID 61149481) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-N-cyclohexyl-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-3-phenylpropane-1,2-diamine
PubChem CID61149481
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-N-cyclohexyl-3-phenylpropane-1,2-diamine
SMILESNC(CNC1CCCCC1)Cc1ccccc1
InChIInChI=1S/C15H24N2/c16-14(11-13-7-3-1-4-8-13)12-17-15-9-5-2-6-10-15/h1,3-4,7-8,14-15,17H,2,5-6,9-12,16H2
InChIKeyPFIRQGLDWKVSFE-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cycloheptyl-3-phenylpropyl)cyclopropanamine
CID 82932346
1-N-cyclopentyl-3-(furan-2-yl)propane-1,2-diamine
CID 117246076
2-benzyl-N'-cyclobutylpropane-1,3-diamine
CID 117241558
(3S)-1-N-cyclopropyl-4-phenylbutane-1,3-diamine
CID 129054273
benzene;N-benzylcyclohexanamine
CID 142622843
2-benzyl-N'-cyclopropylpropane-1,3-diamine
CID 117241556
1-cyclopentyl-2-phenylethanamine
CID 50988646
(2S)-2-[[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]amino]-N-cyclohexylpropanamide
CID 69359753
(1-cyclooctyl-2-phenylethyl)hydrazine
CID 105254972
N-(2-cyclopropyl-3-phenylpropyl)cyclopropanamine
CID 104819239
(2R)-1-N-methyl-3-phenylpropane-1,2-diamine
CID 54262187
1-N-cyclododecylbutane-1,2-diamine
CID 83958083

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-3-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-cyclohexyl-3-phenylpropane-1,2-diamine (CID 61149481) is 1-N-cyclohexyl-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-cyclohexyl-3-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-cyclohexyl-3-phenylpropane-1,2-diamine is NC(CNC1CCCCC1)Cc1ccccc1.
What is the InChIKey of 1-N-cyclohexyl-3-phenylpropane-1,2-diamine?
The InChIKey is PFIRQGLDWKVSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c16-14(11-13-7-3-1-4-8-13)12-17-15-9-5-2-6-10-15/h1,3-4,7-8,14-15,17H,2,5-6,9-12,16H2.
What are the key properties of 1-N-cyclohexyl-3-phenylpropane-1,2-diamine?
1-N-cyclohexyl-3-phenylpropane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 61149481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).