N,N-dimethyl-2-azabicyclo[1.1.0]butan-1-amine

C5H10N2 — CID 173175891

IUPACN,N-dimethyl-2-azabicyclo[1.1.0]butan-1-amine
SMILESCN(C)C12CC1N2
InChIInChI=1S/C5H10N2/c1-7(2)5-3-4(5)6-5/h4,6H,3H2,1-2H3
InChIKeyNQUAFZVLYKMWGM-UHFFFAOYSA-N
MW98.15 g/mol
LogP-0.38
Rot. Bonds1

About N,N-dimethyl-2-azabicyclo[1.1.0]butan-1-amine

N,N-dimethyl-2-azabicyclo[1.1.0]butan-1-amine (PubChem CID 173175891) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N,N-dimethyl-2-azabicyclo[1.1.0]butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-azabicyclo[1.1.0]butan-1-amine
PubChem CID173175891
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN,N-dimethyl-2-azabicyclo[1.1.0]butan-1-amine
SMILESCN(C)C12CC1N2
InChIInChI=1S/C5H10N2/c1-7(2)5-3-4(5)6-5/h4,6H,3H2,1-2H3
InChIKeyNQUAFZVLYKMWGM-UHFFFAOYSA-N
XLogP-0.38
TPSA25.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 5-0.38
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,N-dimethyl-2-azabicyclo[1.1.0]butan-1-amine?
The IUPAC name of N,N-dimethyl-2-azabicyclo[1.1.0]butan-1-amine (CID 173175891) is N,N-dimethyl-2-azabicyclo[1.1.0]butan-1-amine.
What is the SMILES notation for N,N-dimethyl-2-azabicyclo[1.1.0]butan-1-amine?
The canonical SMILES for N,N-dimethyl-2-azabicyclo[1.1.0]butan-1-amine is CN(C)C12CC1N2.
What is the InChIKey of N,N-dimethyl-2-azabicyclo[1.1.0]butan-1-amine?
The InChIKey is NQUAFZVLYKMWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-7(2)5-3-4(5)6-5/h4,6H,3H2,1-2H3.
What are the key properties of N,N-dimethyl-2-azabicyclo[1.1.0]butan-1-amine?
N,N-dimethyl-2-azabicyclo[1.1.0]butan-1-amine has a molecular weight of 98.15 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-azabicyclo[1.1.0]butan-1-amine is sourced from PubChem (CID 173175891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).