3-methyl-2-azabicyclo[3.1.0]hexan-2-amine

C6H12N2 — CID 77335199

IUPAC3-methyl-2-azabicyclo[3.1.0]hexan-2-amine
SMILESCC1CC2CC2N1N
InChIInChI=1S/C6H12N2/c1-4-2-5-3-6(5)8(4)7/h4-6H,2-3,7H2,1H3
InChIKeyKJSBEEMANSIKPH-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.34
Rot. Bonds

About 3-methyl-2-azabicyclo[3.1.0]hexan-2-amine

3-methyl-2-azabicyclo[3.1.0]hexan-2-amine (PubChem CID 77335199) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3-methyl-2-azabicyclo[3.1.0]hexan-2-amine.

Molecular Properties

Compound Name3-methyl-2-azabicyclo[3.1.0]hexan-2-amine
PubChem CID77335199
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3-methyl-2-azabicyclo[3.1.0]hexan-2-amine
SMILESCC1CC2CC2N1N
InChIInChI=1S/C6H12N2/c1-4-2-5-3-6(5)8(4)7/h4-6H,2-3,7H2,1H3
InChIKeyKJSBEEMANSIKPH-UHFFFAOYSA-N
XLogP0.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-azabicyclo[3.1.0]hexan-2-amine?
The IUPAC name of 3-methyl-2-azabicyclo[3.1.0]hexan-2-amine (CID 77335199) is 3-methyl-2-azabicyclo[3.1.0]hexan-2-amine.
What is the SMILES notation for 3-methyl-2-azabicyclo[3.1.0]hexan-2-amine?
The canonical SMILES for 3-methyl-2-azabicyclo[3.1.0]hexan-2-amine is CC1CC2CC2N1N.
What is the InChIKey of 3-methyl-2-azabicyclo[3.1.0]hexan-2-amine?
The InChIKey is KJSBEEMANSIKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-2-5-3-6(5)8(4)7/h4-6H,2-3,7H2,1H3.
What are the key properties of 3-methyl-2-azabicyclo[3.1.0]hexan-2-amine?
3-methyl-2-azabicyclo[3.1.0]hexan-2-amine has a molecular weight of 112.18 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-azabicyclo[3.1.0]hexan-2-amine is sourced from PubChem (CID 77335199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).