3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine

C8H18N2 — CID 142484502

IUPAC3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine
SMILESCN1CC2CC2C1.CNC
InChIInChI=1S/C6H11N.C2H7N/c1-7-3-5-2-6(5)4-7;1-3-2/h5-6H,2-4H2,1H3;3H,1-2H3
InChIKeyQSHCKIOBWRTYRB-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.40
Rot. Bonds

About 3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine

3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine (PubChem CID 142484502) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine.

Molecular Properties

Compound Name3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine
PubChem CID142484502
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine
SMILESCN1CC2CC2C1.CNC
InChIInChI=1S/C6H11N.C2H7N/c1-7-3-5-2-6(5)4-7;1-3-2/h5-6H,2-4H2,1H3;3H,1-2H3
InChIKeyQSHCKIOBWRTYRB-UHFFFAOYSA-N
XLogP0.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine?
The IUPAC name of 3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine (CID 142484502) is 3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine.
What is the SMILES notation for 3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine?
The canonical SMILES for 3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine is CN1CC2CC2C1.CNC.
What is the InChIKey of 3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine?
The InChIKey is QSHCKIOBWRTYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C2H7N/c1-7-3-5-2-6(5)4-7;1-3-2/h5-6H,2-4H2,1H3;3H,1-2H3.
What are the key properties of 3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine?
3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine has a molecular weight of 142.25 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine is sourced from PubChem (CID 142484502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).