3-methyl-3-azabicyclo[3.1.1]heptan-6-amine

C7H14N2 — CID 47003622

IUPAC3-methyl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCN1CC2CC(C1)C2N
InChIInChI=1S/C7H14N2/c1-9-3-5-2-6(4-9)7(5)8/h5-7H,2-4,8H2,1H3
InChIKeyVBRGCOXFBWLERV-UHFFFAOYSA-N
MW126.20 g/mol
LogP-0.10
Rot. Bonds

About 3-methyl-3-azabicyclo[3.1.1]heptan-6-amine

3-methyl-3-azabicyclo[3.1.1]heptan-6-amine (PubChem CID 47003622) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-methyl-3-azabicyclo[3.1.1]heptan-6-amine.

Molecular Properties

Compound Name3-methyl-3-azabicyclo[3.1.1]heptan-6-amine
PubChem CID47003622
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-methyl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCN1CC2CC(C1)C2N
InChIInChI=1S/C7H14N2/c1-9-3-5-2-6(4-9)7(5)8/h5-7H,2-4,8H2,1H3
InChIKeyVBRGCOXFBWLERV-UHFFFAOYSA-N
XLogP-0.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.10
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[3.1.1]heptan-6-amine?
The IUPAC name of 3-methyl-3-azabicyclo[3.1.1]heptan-6-amine (CID 47003622) is 3-methyl-3-azabicyclo[3.1.1]heptan-6-amine.
What is the SMILES notation for 3-methyl-3-azabicyclo[3.1.1]heptan-6-amine?
The canonical SMILES for 3-methyl-3-azabicyclo[3.1.1]heptan-6-amine is CN1CC2CC(C1)C2N.
What is the InChIKey of 3-methyl-3-azabicyclo[3.1.1]heptan-6-amine?
The InChIKey is VBRGCOXFBWLERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-9-3-5-2-6(4-9)7(5)8/h5-7H,2-4,8H2,1H3.
What are the key properties of 3-methyl-3-azabicyclo[3.1.1]heptan-6-amine?
3-methyl-3-azabicyclo[3.1.1]heptan-6-amine has a molecular weight of 126.20 g/mol, XLogP of -0.10, 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[3.1.1]heptan-6-amine is sourced from PubChem (CID 47003622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).