4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline

C14H22N2 — CID 64687654

IUPAC4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline
SMILESCC1(NCCc2ccc(N)cc2)CCCC1
InChIInChI=1S/C14H22N2/c1-14(9-2-3-10-14)16-11-8-12-4-6-13(15)7-5-12/h4-7,16H,2-3,8-11,15H2,1H3
InChIKeyJMPHZCUXJYBWLQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.73
Rot. Bonds4

About 4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline

4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline (PubChem CID 64687654) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline
PubChem CID64687654
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline
SMILESCC1(NCCc2ccc(N)cc2)CCCC1
InChIInChI=1S/C14H22N2/c1-14(9-2-3-10-14)16-11-8-12-4-6-13(15)7-5-12/h4-7,16H,2-3,8-11,15H2,1H3
InChIKeyJMPHZCUXJYBWLQ-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclopentan-1-amine
CID 65447286
N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine
CID 64687047
4-[2-(methoxyamino)ethyl]aniline
CID 143701980
3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide
CID 113485218
2-(4-aminophenyl)-N-(1-methylcyclopentyl)acetamide;hydrochloride
CID 119736524
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylcyclohexan-1-amine
CID 65445021
4-[2-[(1-methylcyclopentyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65483108
5-[2-[(1-methylcyclotetradecyl)amino]ethyl]-1,3-thiazol-2-amine
CID 91042392
4-bromo-3-[[(1-methylcyclopentyl)amino]methyl]aniline
CID 115297761
N-[2-(4-aminophenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 119549251
4-methyl-3-N-(1-methylcyclopentyl)benzene-1,3-diamine
CID 62589807
N-[2-(1-aminocyclopentyl)ethyl]-1-methylcyclopentan-1-amine
CID 64688862

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline?
The IUPAC name of 4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline (CID 64687654) is 4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline.
What is the SMILES notation for 4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline?
The canonical SMILES for 4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline is CC1(NCCc2ccc(N)cc2)CCCC1.
What is the InChIKey of 4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline?
The InChIKey is JMPHZCUXJYBWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(9-2-3-10-14)16-11-8-12-4-6-13(15)7-5-12/h4-7,16H,2-3,8-11,15H2,1H3.
What are the key properties of 4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline?
4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline is sourced from PubChem (CID 64687654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).