N-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine

C15H24N2 — CID 65382887

IUPACN-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine
SMILESCc1cccc(C(CN)NC2CCCC2)c1C
InChIInChI=1S/C15H24N2/c1-11-6-5-9-14(12(11)2)15(10-16)17-13-7-3-4-8-13/h5-6,9,13,15,17H,3-4,7-8,10,16H2,1-2H3
InChIKeyVWVHHQGFDKJYBC-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.84
Rot. Bonds4

About N-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine

N-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine (PubChem CID 65382887) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine
PubChem CID65382887
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine
SMILESCc1cccc(C(CN)NC2CCCC2)c1C
InChIInChI=1S/C15H24N2/c1-11-6-5-9-14(12(11)2)15(10-16)17-13-7-3-4-8-13/h5-6,9,13,15,17H,3-4,7-8,10,16H2,1-2H3
InChIKeyVWVHHQGFDKJYBC-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclobutyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 105476318
1-(2,3-dimethylphenyl)-N-piperidin-1-ylethane-1,2-diamine
CID 83011948
N-cyclohexyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384743
N-cyclopropyl-1-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 62070690
N-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65384955
N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine
CID 65383474
N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine
CID 64986462
1-(3-bromo-4-methylphenyl)-N-cyclopentylethane-1,2-diamine
CID 105405049
2-cycloheptyl-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115850456
N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 65383732
2-cyclopentyl-1-(2,3-dimethylphenyl)ethanol
CID 65148302
N-cyclopentyl-1-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 65386057

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine (CID 65382887) is N-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine is Cc1cccc(C(CN)NC2CCCC2)c1C.
What is the InChIKey of N-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is VWVHHQGFDKJYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-6-5-9-14(12(11)2)15(10-16)17-13-7-3-4-8-13/h5-6,9,13,15,17H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of N-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine?
N-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2,3-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65382887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).