N-methyl-1-azabicyclo[1.1.0]butan-3-amine

C4H8N2 — CID 166475880

IUPACN-methyl-1-azabicyclo[1.1.0]butan-3-amine
SMILESCNC12CN1C2
InChIInChI=1S/C4H8N2/c1-5-4-2-6(4)3-4/h5H,2-3H2,1H3
InChIKeyLMDAIYJTJVQSHT-UHFFFAOYSA-N
MW84.12 g/mol
LogP-0.77
Rot. Bonds1

About N-methyl-1-azabicyclo[1.1.0]butan-3-amine

N-methyl-1-azabicyclo[1.1.0]butan-3-amine (PubChem CID 166475880) has the molecular formula C4H8N2 and a molecular weight of 84.12 g/mol. Its IUPAC name is N-methyl-1-azabicyclo[1.1.0]butan-3-amine.

Molecular Properties

Compound NameN-methyl-1-azabicyclo[1.1.0]butan-3-amine
PubChem CID166475880
Molecular FormulaC4H8N2
Molecular Weight84.12 g/mol
Exact Mass84.07
IUPAC NameN-methyl-1-azabicyclo[1.1.0]butan-3-amine
SMILESCNC12CN1C2
InChIInChI=1S/C4H8N2/c1-5-4-2-6(4)3-4/h5H,2-3H2,1H3
InChIKeyLMDAIYJTJVQSHT-UHFFFAOYSA-N
XLogP-0.77
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-azabicyclo[1.1.0]butan-3-amine?
The IUPAC name of N-methyl-1-azabicyclo[1.1.0]butan-3-amine (CID 166475880) is N-methyl-1-azabicyclo[1.1.0]butan-3-amine.
What is the SMILES notation for N-methyl-1-azabicyclo[1.1.0]butan-3-amine?
The canonical SMILES for N-methyl-1-azabicyclo[1.1.0]butan-3-amine is CNC12CN1C2.
What is the InChIKey of N-methyl-1-azabicyclo[1.1.0]butan-3-amine?
The InChIKey is LMDAIYJTJVQSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2/c1-5-4-2-6(4)3-4/h5H,2-3H2,1H3.
What are the key properties of N-methyl-1-azabicyclo[1.1.0]butan-3-amine?
N-methyl-1-azabicyclo[1.1.0]butan-3-amine has a molecular weight of 84.12 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-azabicyclo[1.1.0]butan-3-amine is sourced from PubChem (CID 166475880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).