3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane

C9H22N2 — CID 143582743

IUPAC3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane
SMILESC.C1NCC2CC12.CN(C)C
InChIInChI=1S/C5H9N.C3H9N.CH4/c1-4-2-6-3-5(1)4;1-4(2)3;/h4-6H,1-3H2;1-3H3;1H4
InChIKeyKXANKQMDDFZHJT-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.04
Rot. Bonds

About 3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane

3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane (PubChem CID 143582743) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane
PubChem CID143582743
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane
SMILESC.C1NCC2CC12.CN(C)C
InChIInChI=1S/C5H9N.C3H9N.CH4/c1-4-2-6-3-5(1)4;1-4(2)3;/h4-6H,1-3H2;1-3H3;1H4
InChIKeyKXANKQMDDFZHJT-UHFFFAOYSA-N
XLogP1.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane?
The IUPAC name of 3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane (CID 143582743) is 3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane?
The canonical SMILES for 3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane is C.C1NCC2CC12.CN(C)C.
What is the InChIKey of 3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane?
The InChIKey is KXANKQMDDFZHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.C3H9N.CH4/c1-4-2-6-3-5(1)4;1-4(2)3;/h4-6H,1-3H2;1-3H3;1H4.
What are the key properties of 3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane?
3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane has a molecular weight of 158.29 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexane;N,N-dimethylmethanamine;methane is sourced from PubChem (CID 143582743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).