N-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine

C17H28N2 — CID 114544774

IUPACN-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine
SMILESCCc1ccccc1C(CN)NC1CCC(C)(C)C1
InChIInChI=1S/C17H28N2/c1-4-13-7-5-6-8-15(13)16(12-18)19-14-9-10-17(2,3)11-14/h5-8,14,16,19H,4,9-12,18H2,1-3H3
InChIKeyPGAIRBCJZBIDMP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.42
Rot. Bonds5

About N-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine

N-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine (PubChem CID 114544774) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine
PubChem CID114544774
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine
SMILESCCc1ccccc1C(CN)NC1CCC(C)(C)C1
InChIInChI=1S/C17H28N2/c1-4-13-7-5-6-8-15(13)16(12-18)19-14-9-10-17(2,3)11-14/h5-8,14,16,19H,4,9-12,18H2,1-3H3
InChIKeyPGAIRBCJZBIDMP-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-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

Related Compounds

1-Methyl-3-phenylpiperazine
CID 2760009
1,2-Ethanediamine, N1,N1-dimethyl-N2-(phenylmethyl)-
CID 66029
N-Butyl-alpha-methylbenzenemethanamine
CID 21518
N,N'-Bis(1-phenylethyl)diaminoethane
CID 22679
1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478
Cyclopentyl-(1-phenyl-ethyl)-amine
CID 427071
N-methyl-2,3-dihydro-1H-inden-1-amine
CID 16774798
N-Benzyl-N,N'-dimethylethylenediamine
CID 66016
N-Methyl-1(R)-aminoindan
CID 5494442
1-(1-Phenyl-2-o-tolylethyl)piperazine
CID 44414708
1-(2-(2-Ethylphenyl)-1-phenylethyl)piperazine
CID 44414709
1-(2-Methylbenzyl)piperazine
CID 79212

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine (CID 114544774) is N-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine is CCc1ccccc1C(CN)NC1CCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine?
The InChIKey is PGAIRBCJZBIDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-13-7-5-6-8-15(13)16(12-18)19-14-9-10-17(2,3)11-14/h5-8,14,16,19H,4,9-12,18H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine?
N-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 114544774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).