3-methyl-3-azabicyclo[4.1.0]heptan-7-amine

C7H14N2 — CID 82418789

IUPAC3-methyl-3-azabicyclo[4.1.0]heptan-7-amine
SMILESCN1CCC2C(N)C2C1
InChIInChI=1S/C7H14N2/c1-9-3-2-5-6(4-9)7(5)8/h5-7H,2-4,8H2,1H3
InChIKeyDOFOJCJQWZBTHL-UHFFFAOYSA-N
MW126.20 g/mol
LogP-0.10
Rot. Bonds

About 3-methyl-3-azabicyclo[4.1.0]heptan-7-amine

3-methyl-3-azabicyclo[4.1.0]heptan-7-amine (PubChem CID 82418789) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-methyl-3-azabicyclo[4.1.0]heptan-7-amine.

Molecular Properties

Compound Name3-methyl-3-azabicyclo[4.1.0]heptan-7-amine
PubChem CID82418789
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-methyl-3-azabicyclo[4.1.0]heptan-7-amine
SMILESCN1CCC2C(N)C2C1
InChIInChI=1S/C7H14N2/c1-9-3-2-5-6(4-9)7(5)8/h5-7H,2-4,8H2,1H3
InChIKeyDOFOJCJQWZBTHL-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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Related Compounds

2-Azabicyclo[4.1.0]heptane
CID 21998683
1-Methyl-2-azabicyclo[4.1.0]heptane
CID 75994690
(5S,6R)-5-fluoro-3-azabicyclo[4.1.0]heptan-6-amine
CID 178124905
(1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine
CID 178125860
8-Methyl-1-azabicyclo[3.2.1]octan-4-amine
CID 19694190
4-Methyl-3-azabicyclo[4.1.0]heptane
CID 21339025
N-cyclopropyl-3-ethylpiperidin-4-amine
CID 22278879
4-Methyl-1-piperidin-4-ylazepane
CID 63624273
4-(4-Methylpiperidin-1-yl)azepane
CID 63904233
4-(3-Methylpiperidin-1-yl)azepane
CID 63904427
1-(1-Cyclopropylbutan-2-yl)piperidin-4-amine
CID 64000827
2-Methyl-3-azabicyclo[4.1.0]heptane
CID 68032905

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-azabicyclo[4.1.0]heptan-7-amine?
The IUPAC name of 3-methyl-3-azabicyclo[4.1.0]heptan-7-amine (CID 82418789) is 3-methyl-3-azabicyclo[4.1.0]heptan-7-amine.
What is the SMILES notation for 3-methyl-3-azabicyclo[4.1.0]heptan-7-amine?
The canonical SMILES for 3-methyl-3-azabicyclo[4.1.0]heptan-7-amine is CN1CCC2C(N)C2C1.
What is the InChIKey of 3-methyl-3-azabicyclo[4.1.0]heptan-7-amine?
The InChIKey is DOFOJCJQWZBTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-9-3-2-5-6(4-9)7(5)8/h5-7H,2-4,8H2,1H3.
What are the key properties of 3-methyl-3-azabicyclo[4.1.0]heptan-7-amine?
3-methyl-3-azabicyclo[4.1.0]heptan-7-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[4.1.0]heptan-7-amine is sourced from PubChem (CID 82418789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).