4-methyl-1,4-diazabicyclo[3.2.1]octane

C7H14N2 — CID 18712667

IUPAC4-methyl-1,4-diazabicyclo[3.2.1]octane
SMILESCN1CCN2CCC1C2
InChIInChI=1S/C7H14N2/c1-8-4-5-9-3-2-7(8)6-9/h7H,2-6H2,1H3
InChIKeyYKBHIAMXELZBES-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.01
Rot. Bonds

About 4-methyl-1,4-diazabicyclo[3.2.1]octane

4-methyl-1,4-diazabicyclo[3.2.1]octane (PubChem CID 18712667) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-methyl-1,4-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name4-methyl-1,4-diazabicyclo[3.2.1]octane
PubChem CID18712667
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name4-methyl-1,4-diazabicyclo[3.2.1]octane
SMILESCN1CCN2CCC1C2
InChIInChI=1S/C7H14N2/c1-8-4-5-9-3-2-7(8)6-9/h7H,2-6H2,1H3
InChIKeyYKBHIAMXELZBES-UHFFFAOYSA-N
XLogP0.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1,4-diazabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-diazabicyclo[3.2.1]octane?
The IUPAC name of 4-methyl-1,4-diazabicyclo[3.2.1]octane (CID 18712667) is 4-methyl-1,4-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 4-methyl-1,4-diazabicyclo[3.2.1]octane?
The canonical SMILES for 4-methyl-1,4-diazabicyclo[3.2.1]octane is CN1CCN2CCC1C2.
What is the InChIKey of 4-methyl-1,4-diazabicyclo[3.2.1]octane?
The InChIKey is YKBHIAMXELZBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-8-4-5-9-3-2-7(8)6-9/h7H,2-6H2,1H3.
What are the key properties of 4-methyl-1,4-diazabicyclo[3.2.1]octane?
4-methyl-1,4-diazabicyclo[3.2.1]octane has a molecular weight of 126.20 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 18712667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).