4-[(cyclopentylamino)methyl]-2-methylaniline

C13H20N2 — CID 61149501

IUPAC4-[(cyclopentylamino)methyl]-2-methylaniline
SMILESCc1cc(CNC2CCCC2)ccc1N
InChIInChI=1S/C13H20N2/c1-10-8-11(6-7-13(10)14)9-15-12-4-2-3-5-12/h6-8,12,15H,2-5,9,14H2,1H3
InChIKeyRMIRVUXPYSHGSG-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.61
Rot. Bonds3

About 4-[(cyclopentylamino)methyl]-2-methylaniline

4-[(cyclopentylamino)methyl]-2-methylaniline (PubChem CID 61149501) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-[(cyclopentylamino)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-[(cyclopentylamino)methyl]-2-methylaniline
PubChem CID61149501
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-[(cyclopentylamino)methyl]-2-methylaniline
SMILESCc1cc(CNC2CCCC2)ccc1N
InChIInChI=1S/C13H20N2/c1-10-8-11(6-7-13(10)14)9-15-12-4-2-3-5-12/h6-8,12,15H,2-5,9,14H2,1H3
InChIKeyRMIRVUXPYSHGSG-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(cyclopentylamino)methyl]-2-methylphenol
CID 117221552
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
2-methyl-4-[[(2-methylcyclopropyl)amino]methyl]aniline
CID 62408815
4-[(cyclopropylmethylamino)methyl]-2-methylaniline
CID 61150758
N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine
CID 96673699
N-[(3,4-dimethylphenyl)methyl]piperidin-4-amine
CID 83706075
N-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-N-methylcycloheptanamine
CID 63552456
N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 60683536
N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
4-(cyclopropylmethyl)-2-methylaniline
CID 131504223
N-[(4-bromo-3-methylphenyl)methyl]thian-3-amine
CID 115676145
N-[(4-bromo-3-methylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 66473412

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopentylamino)methyl]-2-methylaniline?
The IUPAC name of 4-[(cyclopentylamino)methyl]-2-methylaniline (CID 61149501) is 4-[(cyclopentylamino)methyl]-2-methylaniline.
What is the SMILES notation for 4-[(cyclopentylamino)methyl]-2-methylaniline?
The canonical SMILES for 4-[(cyclopentylamino)methyl]-2-methylaniline is Cc1cc(CNC2CCCC2)ccc1N.
What is the InChIKey of 4-[(cyclopentylamino)methyl]-2-methylaniline?
The InChIKey is RMIRVUXPYSHGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-8-11(6-7-13(10)14)9-15-12-4-2-3-5-12/h6-8,12,15H,2-5,9,14H2,1H3.
What are the key properties of 4-[(cyclopentylamino)methyl]-2-methylaniline?
4-[(cyclopentylamino)methyl]-2-methylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopentylamino)methyl]-2-methylaniline is sourced from PubChem (CID 61149501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).