N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine

C14H22N2 — CID 114547176

IUPACN'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine
SMILESCC1CCC(NCC(N)c2ccccc2)C1
InChIInChI=1S/C14H22N2/c1-11-7-8-13(9-11)16-10-14(15)12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10,15H2,1H3
InChIKeyCKMDNPHGHNLKIM-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.46
Rot. Bonds4

About N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine

N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine (PubChem CID 114547176) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine
PubChem CID114547176
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine
SMILESCC1CCC(NCC(N)c2ccccc2)C1
InChIInChI=1S/C14H22N2/c1-11-7-8-13(9-11)16-10-14(15)12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10,15H2,1H3
InChIKeyCKMDNPHGHNLKIM-UHFFFAOYSA-N
XLogP2.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-methylcyclopentyl)-1-phenylpropane-1,3-diamine
CID 114547321
(1S)-N-(3,3-diphenylpropyl)-3-methylcyclopentan-1-amine
CID 71032236
N'-(3-methylcyclobutyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313130
1-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 114547299
3-methyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107875909
3-[(3-methylcyclohexyl)amino]-2-phenylpropanenitrile
CID 64538839
N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043729
1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115652821
2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol
CID 111466776
N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide
CID 129071865
N-[cyclopropyl(phenyl)methyl]-3-methylcyclopentan-1-amine
CID 64500445
2-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114543904

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine (CID 114547176) is N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine is CC1CCC(NCC(N)c2ccccc2)C1.
What is the InChIKey of N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine?
The InChIKey is CKMDNPHGHNLKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-7-8-13(9-11)16-10-14(15)12-5-3-2-4-6-12/h2-6,11,13-14,16H,7-10,15H2,1H3.
What are the key properties of N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine?
N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 114547176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).