2-(cyclopentylmethyl)aniline

C12H17N — CID 15634615

IUPAC2-(cyclopentylmethyl)aniline
SMILESNc1ccccc1CC1CCCC1
InChIInChI=1S/C12H17N/c13-12-8-4-3-7-11(12)9-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9,13H2
InChIKeyWFHYPMHJDRZBLS-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.00
Rot. Bonds2

About 2-(cyclopentylmethyl)aniline

2-(cyclopentylmethyl)aniline (PubChem CID 15634615) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)aniline.

Molecular Properties

Compound Name2-(cyclopentylmethyl)aniline
PubChem CID15634615
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2-(cyclopentylmethyl)aniline
SMILESNc1ccccc1CC1CCCC1
InChIInChI=1S/C12H17N/c13-12-8-4-3-7-11(12)9-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9,13H2
InChIKeyWFHYPMHJDRZBLS-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.00
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-(cyclopropylmethyl)aniline
CID 55285261
2-(piperidin-2-ylmethyl)aniline
CID 84662844
[2-(cyclohexylmethyl)phenyl]methanamine
CID 105455805
2-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 84662847
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
2-(cycloheptylmethyl)-5-methylaniline
CID 105471815
5-chloro-2-(cyclohexylmethyl)aniline
CID 105481516
1-chloro-2-(cyclohexylmethyl)benzene
CID 54348768
2-(cyclobutylmethyl)phenol
CID 115012772
N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate
CID 66689754

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)aniline?
The IUPAC name of 2-(cyclopentylmethyl)aniline (CID 15634615) is 2-(cyclopentylmethyl)aniline.
What is the SMILES notation for 2-(cyclopentylmethyl)aniline?
The canonical SMILES for 2-(cyclopentylmethyl)aniline is Nc1ccccc1CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethyl)aniline?
The InChIKey is WFHYPMHJDRZBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c13-12-8-4-3-7-11(12)9-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9,13H2.
What are the key properties of 2-(cyclopentylmethyl)aniline?
2-(cyclopentylmethyl)aniline has a molecular weight of 175.28 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)aniline is sourced from PubChem (CID 15634615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).