2-(2,3-dimethylcyclopenten-1-yl)aniline

C13H17N — CID 91477460

IUPAC2-(2,3-dimethylcyclopenten-1-yl)aniline
SMILESCC1=C(c2ccccc2N)CCC1C
InChIInChI=1S/C13H17N/c1-9-7-8-11(10(9)2)12-5-3-4-6-13(12)14/h3-6,9H,7-8,14H2,1-2H3
InChIKeyLXKZESOZDSIQNC-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.47
Rot. Bonds1

About 2-(2,3-dimethylcyclopenten-1-yl)aniline

2-(2,3-dimethylcyclopenten-1-yl)aniline (PubChem CID 91477460) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-(2,3-dimethylcyclopenten-1-yl)aniline.

Molecular Properties

Compound Name2-(2,3-dimethylcyclopenten-1-yl)aniline
PubChem CID91477460
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-(2,3-dimethylcyclopenten-1-yl)aniline
SMILESCC1=C(c2ccccc2N)CCC1C
InChIInChI=1S/C13H17N/c1-9-7-8-11(10(9)2)12-5-3-4-6-13(12)14/h3-6,9H,7-8,14H2,1-2H3
InChIKeyLXKZESOZDSIQNC-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-3,4-dimethylcyclopent-2-en-1-one
CID 159441258
2-(3-methylcyclopenten-1-yl)aniline
CID 19754745
4-[(3S)-2,3-dimethylcyclopenten-1-yl]pyridine
CID 166775887
2-(2,3-dimethylcyclohexen-1-yl)-4-(2-pyrrolidin-1-ylpropan-2-yl)aniline
CID 69010173
9-methyl-6-(2-methylphenyl)-5-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulen-2-amine
CID 145352144
5-(2-aminophenyl)-2-methylaniline
CID 68793709
2-[4-(4-methylphenyl)phenyl]aniline
CID 154563208
1-methyl-4-methylidene-2,3-dihydro-1H-naphthalene
CID 13067250
2-(2,5-dimethylcyclopenta-1,4-dien-1-yl)aniline
CID 66593869
2-(cyclohexen-1-yl)aniline;rhodium
CID 166447509
2-[2-(4-ethylphenyl)phenyl]aniline
CID 150274676
2-(2-aminophenyl)benzene-1,3-diamine
CID 22068804

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylcyclopenten-1-yl)aniline?
The IUPAC name of 2-(2,3-dimethylcyclopenten-1-yl)aniline (CID 91477460) is 2-(2,3-dimethylcyclopenten-1-yl)aniline.
What is the SMILES notation for 2-(2,3-dimethylcyclopenten-1-yl)aniline?
The canonical SMILES for 2-(2,3-dimethylcyclopenten-1-yl)aniline is CC1=C(c2ccccc2N)CCC1C.
What is the InChIKey of 2-(2,3-dimethylcyclopenten-1-yl)aniline?
The InChIKey is LXKZESOZDSIQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-9-7-8-11(10(9)2)12-5-3-4-6-13(12)14/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of 2-(2,3-dimethylcyclopenten-1-yl)aniline?
2-(2,3-dimethylcyclopenten-1-yl)aniline has a molecular weight of 187.29 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylcyclopenten-1-yl)aniline is sourced from PubChem (CID 91477460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).