N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine

C18H30N2 — CID 64774136

IUPACN'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCC1CCC(C)C(NCC(c2ccccc2)N(C)C)C1
InChIInChI=1S/C18H30N2/c1-14-10-11-15(2)17(12-14)19-13-18(20(3)4)16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3
InChIKeyGXNRFAJAIXZSCI-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.70
Rot. Bonds5

About N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine

N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 64774136) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
PubChem CID64774136
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
SMILESCC1CCC(C)C(NCC(c2ccccc2)N(C)C)C1
InChIInChI=1S/C18H30N2/c1-14-10-11-15(2)17(12-14)19-13-18(20(3)4)16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3
InChIKeyGXNRFAJAIXZSCI-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-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 N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine (CID 64774136) is N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine is CC1CCC(C)C(NCC(c2ccccc2)N(C)C)C1.
What is the InChIKey of N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is GXNRFAJAIXZSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14-10-11-15(2)17(12-14)19-13-18(20(3)4)16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3.
What are the key properties of N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine?
N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylcyclohexyl)-N,N-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 64774136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).