3-(1-aminocyclopentyl)aniline

C11H16N2 — CID 117047301

IUPAC3-(1-aminocyclopentyl)aniline
SMILESNc1cccc(C2(N)CCCC2)c1
InChIInChI=1S/C11H16N2/c12-10-5-3-4-9(8-10)11(13)6-1-2-7-11/h3-5,8H,1-2,6-7,12-13H2
InChIKeyAEZRKSYFAAYIHT-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.00
Rot. Bonds1

About 3-(1-aminocyclopentyl)aniline

3-(1-aminocyclopentyl)aniline (PubChem CID 117047301) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-(1-aminocyclopentyl)aniline.

Molecular Properties

Compound Name3-(1-aminocyclopentyl)aniline
PubChem CID117047301
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name3-(1-aminocyclopentyl)aniline
SMILESNc1cccc(C2(N)CCCC2)c1
InChIInChI=1S/C11H16N2/c12-10-5-3-4-9(8-10)11(13)6-1-2-7-11/h3-5,8H,1-2,6-7,12-13H2
InChIKeyAEZRKSYFAAYIHT-UHFFFAOYSA-N
XLogP2.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopentyl)aniline?
The IUPAC name of 3-(1-aminocyclopentyl)aniline (CID 117047301) is 3-(1-aminocyclopentyl)aniline.
What is the SMILES notation for 3-(1-aminocyclopentyl)aniline?
The canonical SMILES for 3-(1-aminocyclopentyl)aniline is Nc1cccc(C2(N)CCCC2)c1.
What is the InChIKey of 3-(1-aminocyclopentyl)aniline?
The InChIKey is AEZRKSYFAAYIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c12-10-5-3-4-9(8-10)11(13)6-1-2-7-11/h3-5,8H,1-2,6-7,12-13H2.
What are the key properties of 3-(1-aminocyclopentyl)aniline?
3-(1-aminocyclopentyl)aniline has a molecular weight of 176.26 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclopentyl)aniline is sourced from PubChem (CID 117047301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).