3-azabicyclo[4.1.0]heptan-1-amine

C6H12N2 — CID 54382136

IUPAC3-azabicyclo[4.1.0]heptan-1-amine
SMILESNC12CNCCC1C2
InChIInChI=1S/C6H12N2/c7-6-3-5(6)1-2-8-4-6/h5,8H,1-4,7H2
InChIKeyVAQYLZQUNFNAQN-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.30
Rot. Bonds

About 3-azabicyclo[4.1.0]heptan-1-amine

3-azabicyclo[4.1.0]heptan-1-amine (PubChem CID 54382136) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3-azabicyclo[4.1.0]heptan-1-amine.

Molecular Properties

Compound Name3-azabicyclo[4.1.0]heptan-1-amine
PubChem CID54382136
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3-azabicyclo[4.1.0]heptan-1-amine
SMILESNC12CNCCC1C2
InChIInChI=1S/C6H12N2/c7-6-3-5(6)1-2-8-4-6/h5,8H,1-4,7H2
InChIKeyVAQYLZQUNFNAQN-UHFFFAOYSA-N
XLogP-0.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Azabicyclo[4.1.0]heptane hydrochloride
CID 74889690
1-Methyl-2-azabicyclo[4.1.0]heptane hydrochloride
CID 75994689
3-Azabicyclo[4.1.0]heptane
CID 20521861
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
3-Azabicyclo[3.2.1]octan-1-amine
CID 18540976
4-Methyl-3-azabicyclo[4.1.0]heptane
CID 21339025
2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-pyrido[3,4-b]azepine
CID 23282830
(1S,6S)-3-azabicyclo[4.1.0]heptane
CID 51606321
(1R,6R)-3-azabicyclo[4.1.0]heptane
CID 51606323
1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine
CID 59363705

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[4.1.0]heptan-1-amine?
The IUPAC name of 3-azabicyclo[4.1.0]heptan-1-amine (CID 54382136) is 3-azabicyclo[4.1.0]heptan-1-amine.
What is the SMILES notation for 3-azabicyclo[4.1.0]heptan-1-amine?
The canonical SMILES for 3-azabicyclo[4.1.0]heptan-1-amine is NC12CNCCC1C2.
What is the InChIKey of 3-azabicyclo[4.1.0]heptan-1-amine?
The InChIKey is VAQYLZQUNFNAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c7-6-3-5(6)1-2-8-4-6/h5,8H,1-4,7H2.
What are the key properties of 3-azabicyclo[4.1.0]heptan-1-amine?
3-azabicyclo[4.1.0]heptan-1-amine has a molecular weight of 112.18 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[4.1.0]heptan-1-amine is sourced from PubChem (CID 54382136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).