N,N-dimethylbicyclo[1.1.0]butan-1-amine

C6H11N — CID 166476081

IUPACN,N-dimethylbicyclo[1.1.0]butan-1-amine
SMILESCN(C)C12CC1C2
InChIInChI=1S/C6H11N/c1-7(2)6-3-5(6)4-6/h5H,3-4H2,1-2H3
InChIKeyVKTQZIMPRJNGLW-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.71
Rot. Bonds1

About N,N-dimethylbicyclo[1.1.0]butan-1-amine

N,N-dimethylbicyclo[1.1.0]butan-1-amine (PubChem CID 166476081) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N,N-dimethylbicyclo[1.1.0]butan-1-amine.

Molecular Properties

Compound NameN,N-dimethylbicyclo[1.1.0]butan-1-amine
PubChem CID166476081
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN,N-dimethylbicyclo[1.1.0]butan-1-amine
SMILESCN(C)C12CC1C2
InChIInChI=1S/C6H11N/c1-7(2)6-3-5(6)4-6/h5H,3-4H2,1-2H3
InChIKeyVKTQZIMPRJNGLW-UHFFFAOYSA-N
XLogP0.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbicyclo[1.1.0]butan-1-amine?
The IUPAC name of N,N-dimethylbicyclo[1.1.0]butan-1-amine (CID 166476081) is N,N-dimethylbicyclo[1.1.0]butan-1-amine.
What is the SMILES notation for N,N-dimethylbicyclo[1.1.0]butan-1-amine?
The canonical SMILES for N,N-dimethylbicyclo[1.1.0]butan-1-amine is CN(C)C12CC1C2.
What is the InChIKey of N,N-dimethylbicyclo[1.1.0]butan-1-amine?
The InChIKey is VKTQZIMPRJNGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-7(2)6-3-5(6)4-6/h5H,3-4H2,1-2H3.
What are the key properties of N,N-dimethylbicyclo[1.1.0]butan-1-amine?
N,N-dimethylbicyclo[1.1.0]butan-1-amine has a molecular weight of 97.16 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbicyclo[1.1.0]butan-1-amine is sourced from PubChem (CID 166476081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).