3-(2-methylcyclopentyl)aniline

C12H17N — CID 165463165

IUPAC3-(2-methylcyclopentyl)aniline
SMILESCC1CCCC1c1cccc(N)c1
InChIInChI=1S/C12H17N/c1-9-4-2-7-12(9)10-5-3-6-11(13)8-10/h3,5-6,8-9,12H,2,4,7,13H2,1H3
InChIKeyUTPLYXPFTXULBI-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.17
Rot. Bonds1

About 3-(2-methylcyclopentyl)aniline

3-(2-methylcyclopentyl)aniline (PubChem CID 165463165) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 3-(2-methylcyclopentyl)aniline.

Molecular Properties

Compound Name3-(2-methylcyclopentyl)aniline
PubChem CID165463165
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name3-(2-methylcyclopentyl)aniline
SMILESCC1CCCC1c1cccc(N)c1
InChIInChI=1S/C12H17N/c1-9-4-2-7-12(9)10-5-3-6-11(13)8-10/h3,5-6,8-9,12H,2,4,7,13H2,1H3
InChIKeyUTPLYXPFTXULBI-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.17
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

1-methyl-3-[(1S,2R)-2-methylcyclopentyl]benzene
CID 58641993
3-[(1S,2S)-2-aminocyclohexyl]aniline
CID 131176039
3-[(1R,2S)-2-aminocyclohexyl]aniline
CID 130754424
3-methyl-5-[(1S,2R)-2-methylcyclohexyl]aniline
CID 125449769
3-cycloheptylaniline
CID 22019641
ethyl 3-[(1R,2S)-2-methylcyclohexyl]benzoate
CID 58617185
carbon dioxide;[(1S,2S)-2-methylcyclohexyl]benzene
CID 123742009
3-[(4aS,6R,10bS)-7,10-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-benzo[c]chromen-6-yl]aniline
CID 40823514
3-[(3S)-pyrrolidin-3-yl]aniline
CID 86324837
acetylene;3-methylaniline;2-methylcyclohexan-1-amine
CID 143436771
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
3-methyl-2-[(1S,2S)-2-methylcyclohexyl]aniline
CID 125450180

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclopentyl)aniline?
The IUPAC name of 3-(2-methylcyclopentyl)aniline (CID 165463165) is 3-(2-methylcyclopentyl)aniline.
What is the SMILES notation for 3-(2-methylcyclopentyl)aniline?
The canonical SMILES for 3-(2-methylcyclopentyl)aniline is CC1CCCC1c1cccc(N)c1.
What is the InChIKey of 3-(2-methylcyclopentyl)aniline?
The InChIKey is UTPLYXPFTXULBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-4-2-7-12(9)10-5-3-6-11(13)8-10/h3,5-6,8-9,12H,2,4,7,13H2,1H3.
What are the key properties of 3-(2-methylcyclopentyl)aniline?
3-(2-methylcyclopentyl)aniline has a molecular weight of 175.28 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclopentyl)aniline is sourced from PubChem (CID 165463165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).