4-(1-aminocyclopentyl)-2,6-dimethylaniline

C13H20N2 — CID 84778060

IUPAC4-(1-aminocyclopentyl)-2,6-dimethylaniline
SMILESCc1cc(C2(N)CCCC2)cc(C)c1N
InChIInChI=1S/C13H20N2/c1-9-7-11(8-10(2)12(9)14)13(15)5-3-4-6-13/h7-8H,3-6,14-15H2,1-2H3
InChIKeyVJBKDRWAHMAQRP-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.61
Rot. Bonds1

About 4-(1-aminocyclopentyl)-2,6-dimethylaniline

4-(1-aminocyclopentyl)-2,6-dimethylaniline (PubChem CID 84778060) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-(1-aminocyclopentyl)-2,6-dimethylaniline.

Molecular Properties

Compound Name4-(1-aminocyclopentyl)-2,6-dimethylaniline
PubChem CID84778060
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-(1-aminocyclopentyl)-2,6-dimethylaniline
SMILESCc1cc(C2(N)CCCC2)cc(C)c1N
InChIInChI=1S/C13H20N2/c1-9-7-11(8-10(2)12(9)14)13(15)5-3-4-6-13/h7-8H,3-6,14-15H2,1-2H3
InChIKeyVJBKDRWAHMAQRP-UHFFFAOYSA-N
XLogP2.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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

1-(4-chloro-3,5-dimethylphenyl)cyclopentan-1-amine
CID 84789567
4-[1-(4-amino-3,5-dimethylphenyl)cyclohexyl]-2,6-dimethylaniline
CID 1392676
5-(1-aminocyclohexyl)-3-methylbenzene-1,2-diol
CID 117316475
1-(3-chloro-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117356600
1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117461277
1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
CID 117339192
5-(1-aminocyclohexyl)-2-bromo-3-methylphenol
CID 84813036
1-(4-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117320334
1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 23289263
1-(3-methylphenyl)cyclopentan-1-amine
CID 43345653
1-(1,7-dimethylindol-5-yl)cyclopentan-1-amine
CID 84792369
4-(1-aminocyclohexyl)-2-(difluoromethyl)-6-methylphenol
CID 117391230

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopentyl)-2,6-dimethylaniline?
The IUPAC name of 4-(1-aminocyclopentyl)-2,6-dimethylaniline (CID 84778060) is 4-(1-aminocyclopentyl)-2,6-dimethylaniline.
What is the SMILES notation for 4-(1-aminocyclopentyl)-2,6-dimethylaniline?
The canonical SMILES for 4-(1-aminocyclopentyl)-2,6-dimethylaniline is Cc1cc(C2(N)CCCC2)cc(C)c1N.
What is the InChIKey of 4-(1-aminocyclopentyl)-2,6-dimethylaniline?
The InChIKey is VJBKDRWAHMAQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9-7-11(8-10(2)12(9)14)13(15)5-3-4-6-13/h7-8H,3-6,14-15H2,1-2H3.
What are the key properties of 4-(1-aminocyclopentyl)-2,6-dimethylaniline?
4-(1-aminocyclopentyl)-2,6-dimethylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopentyl)-2,6-dimethylaniline is sourced from PubChem (CID 84778060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).