N'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine

C15H25N3 — CID 142251322

IUPACN'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine
SMILESCCNCCNC1CC[C@@H](c2cccc(N)c2)C1
InChIInChI=1S/C15H25N3/c1-2-17-8-9-18-15-7-6-13(11-15)12-4-3-5-14(16)10-12/h3-5,10,13,15,17-18H,2,6-9,11,16H2,1H3/t13-,15?/m1/s1
InChIKeyAUXMYLDBHZBVTD-AFYYWNPRSA-N
MW247.39 g/mol
LogP2.10
Rot. Bonds6

About N'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine

N'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine (PubChem CID 142251322) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine
PubChem CID142251322
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine
SMILESCCNCCNC1CC[C@@H](c2cccc(N)c2)C1
InChIInChI=1S/C15H25N3/c1-2-17-8-9-18-15-7-6-13(11-15)12-4-3-5-14(16)10-12/h3-5,10,13,15,17-18H,2,6-9,11,16H2,1H3/t13-,15?/m1/s1
InChIKeyAUXMYLDBHZBVTD-AFYYWNPRSA-N
XLogP2.10
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-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

3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine
CID 114606245
N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 64503099
3-(1-ethylpyrrolidin-3-yl)aniline
CID 46941945
3-cycloheptylaniline
CID 22019641
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine
CID 43633398
3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine
CID 107560967
N-[3-(3-chlorophenyl)cyclobutyl]-N',N'-diethylethane-1,2-diamine
CID 43633399
3-(3-cyclopropylphenyl)-N-ethylprop-2-en-1-amine
CID 79977248
3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine
CID 64504263
3-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopentan-1-amine
CID 104544359
N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide
CID 104526953

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine?
The IUPAC name of N'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine (CID 142251322) is N'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine is CCNCCNC1CC[C@@H](c2cccc(N)c2)C1.
What is the InChIKey of N'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine?
The InChIKey is AUXMYLDBHZBVTD-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H25N3/c1-2-17-8-9-18-15-7-6-13(11-15)12-4-3-5-14(16)10-12/h3-5,10,13,15,17-18H,2,6-9,11,16H2,1H3/t13-,15?/m1/s1.
What are the key properties of N'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine?
N'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-3-(3-aminophenyl)cyclopentyl]-N-ethylethane-1,2-diamine is sourced from PubChem (CID 142251322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).