6-methyl-3-azabicyclo[4.1.0]hept-3-en-4-amine

C7H12N2 — CID 11094605

IUPAC6-methyl-3-azabicyclo[4.1.0]hept-3-en-4-amine
SMILESCC12CC(N)=NCC1C2
InChIInChI=1S/C7H12N2/c1-7-2-5(7)4-9-6(8)3-7/h5H,2-4H2,1H3,(H2,8,9)
InChIKeyCGURNTATKOELSV-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.77
Rot. Bonds

About 6-methyl-3-azabicyclo[4.1.0]hept-3-en-4-amine

6-methyl-3-azabicyclo[4.1.0]hept-3-en-4-amine (PubChem CID 11094605) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 6-methyl-3-azabicyclo[4.1.0]hept-3-en-4-amine.

Molecular Properties

Compound Name6-methyl-3-azabicyclo[4.1.0]hept-3-en-4-amine
PubChem CID11094605
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name6-methyl-3-azabicyclo[4.1.0]hept-3-en-4-amine
SMILESCC12CC(N)=NCC1C2
InChIInChI=1S/C7H12N2/c1-7-2-5(7)4-9-6(8)3-7/h5H,2-4H2,1H3,(H2,8,9)
InChIKeyCGURNTATKOELSV-UHFFFAOYSA-N
XLogP0.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-azepan-(2Z)-ylideneamine; hydrochloride
CID 10630840
7-Fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
CID 18687130
(1S,6S)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
CID 54315225
(1S,6R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
CID 54315226
(1S,5R,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
CID 55300117
(1S,5S,6R,7R)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
CID 55300118
(1R,5S,6S,7S)-7-fluoro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-amine
CID 59954912
6-Azaspiro[2.5]oct-5-EN-5-amine
CID 11051644
5-methyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 18428468
2-Pyridinamine, 5-ethyl-3,4,5,6-tetrahydro-
CID 18428487
6-tert-butyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 18428499
4-tert-butyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 18428517

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-azabicyclo[4.1.0]hept-3-en-4-amine?
The IUPAC name of 6-methyl-3-azabicyclo[4.1.0]hept-3-en-4-amine (CID 11094605) is 6-methyl-3-azabicyclo[4.1.0]hept-3-en-4-amine.
What is the SMILES notation for 6-methyl-3-azabicyclo[4.1.0]hept-3-en-4-amine?
The canonical SMILES for 6-methyl-3-azabicyclo[4.1.0]hept-3-en-4-amine is CC12CC(N)=NCC1C2.
What is the InChIKey of 6-methyl-3-azabicyclo[4.1.0]hept-3-en-4-amine?
The InChIKey is CGURNTATKOELSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-7-2-5(7)4-9-6(8)3-7/h5H,2-4H2,1H3,(H2,8,9).
What are the key properties of 6-methyl-3-azabicyclo[4.1.0]hept-3-en-4-amine?
6-methyl-3-azabicyclo[4.1.0]hept-3-en-4-amine has a molecular weight of 124.19 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-azabicyclo[4.1.0]hept-3-en-4-amine is sourced from PubChem (CID 11094605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).