2-azabicyclo[2.1.1]hexan-1-amine

C5H10N2 — CID 145234636

IUPAC2-azabicyclo[2.1.1]hexan-1-amine
SMILESNC12CC(CN1)C2
InChIInChI=1S/C5H10N2/c6-5-1-4(2-5)3-7-5/h4,7H,1-3,6H2
InChIKeyIKYYGOHANZBXGW-UHFFFAOYSA-N
MW98.15 g/mol
LogP-0.35
Rot. Bonds

About 2-azabicyclo[2.1.1]hexan-1-amine

2-azabicyclo[2.1.1]hexan-1-amine (PubChem CID 145234636) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2-azabicyclo[2.1.1]hexan-1-amine.

Molecular Properties

Compound Name2-azabicyclo[2.1.1]hexan-1-amine
PubChem CID145234636
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2-azabicyclo[2.1.1]hexan-1-amine
SMILESNC12CC(CN1)C2
InChIInChI=1S/C5H10N2/c6-5-1-4(2-5)3-7-5/h4,7H,1-3,6H2
InChIKeyIKYYGOHANZBXGW-UHFFFAOYSA-N
XLogP-0.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-azabicyclo[2.1.1]hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.1.1]hexan-1-amine?
The IUPAC name of 2-azabicyclo[2.1.1]hexan-1-amine (CID 145234636) is 2-azabicyclo[2.1.1]hexan-1-amine.
What is the SMILES notation for 2-azabicyclo[2.1.1]hexan-1-amine?
The canonical SMILES for 2-azabicyclo[2.1.1]hexan-1-amine is NC12CC(CN1)C2.
What is the InChIKey of 2-azabicyclo[2.1.1]hexan-1-amine?
The InChIKey is IKYYGOHANZBXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c6-5-1-4(2-5)3-7-5/h4,7H,1-3,6H2.
What are the key properties of 2-azabicyclo[2.1.1]hexan-1-amine?
2-azabicyclo[2.1.1]hexan-1-amine has a molecular weight of 98.15 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.1.1]hexan-1-amine is sourced from PubChem (CID 145234636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).