4-N-(2-methyl-2-phenylcyclopropyl)cyclohexane-1,4-diamine

C16H24N2 — CID 78109676

IUPAC4-N-(2-methyl-2-phenylcyclopropyl)cyclohexane-1,4-diamine
SMILESCC1(c2ccccc2)CC1NC1CCC(N)CC1
InChIInChI=1S/C16H24N2/c1-16(12-5-3-2-4-6-12)11-15(16)18-14-9-7-13(17)8-10-14/h2-6,13-15,18H,7-11,17H2,1H3
InChIKeyYCAWTMXHBSTPQD-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.58
Rot. Bonds3

About 4-N-(2-methyl-2-phenylcyclopropyl)cyclohexane-1,4-diamine

4-N-(2-methyl-2-phenylcyclopropyl)cyclohexane-1,4-diamine (PubChem CID 78109676) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-N-(2-methyl-2-phenylcyclopropyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-2-phenylcyclopropyl)cyclohexane-1,4-diamine
PubChem CID78109676
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-N-(2-methyl-2-phenylcyclopropyl)cyclohexane-1,4-diamine
SMILESCC1(c2ccccc2)CC1NC1CCC(N)CC1
InChIInChI=1S/C16H24N2/c1-16(12-5-3-2-4-6-12)11-15(16)18-14-9-7-13(17)8-10-14/h2-6,13-15,18H,7-11,17H2,1H3
InChIKeyYCAWTMXHBSTPQD-UHFFFAOYSA-N
XLogP2.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-N-(2-methyl-2-phenylcyclopropyl)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

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-2-phenylcyclopropyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2-methyl-2-phenylcyclopropyl)cyclohexane-1,4-diamine (CID 78109676) is 4-N-(2-methyl-2-phenylcyclopropyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2-methyl-2-phenylcyclopropyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2-methyl-2-phenylcyclopropyl)cyclohexane-1,4-diamine is CC1(c2ccccc2)CC1NC1CCC(N)CC1.
What is the InChIKey of 4-N-(2-methyl-2-phenylcyclopropyl)cyclohexane-1,4-diamine?
The InChIKey is YCAWTMXHBSTPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-16(12-5-3-2-4-6-12)11-15(16)18-14-9-7-13(17)8-10-14/h2-6,13-15,18H,7-11,17H2,1H3.
What are the key properties of 4-N-(2-methyl-2-phenylcyclopropyl)cyclohexane-1,4-diamine?
4-N-(2-methyl-2-phenylcyclopropyl)cyclohexane-1,4-diamine has a molecular weight of 244.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-2-phenylcyclopropyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 78109676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).