3-azabicyclo[4.1.0]heptan-7-amine

C6H12N2 — CID 82418977

IUPAC3-azabicyclo[4.1.0]heptan-7-amine
SMILESNC1C2CCNCC12
InChIInChI=1S/C6H12N2/c7-6-4-1-2-8-3-5(4)6/h4-6,8H,1-3,7H2
InChIKeyUEWYNNMEOGXSOQ-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.45
Rot. Bonds

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

3-azabicyclo[4.1.0]heptan-7-amine (PubChem CID 82418977) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3-azabicyclo[4.1.0]heptan-7-amine.

Molecular Properties

Compound Name3-azabicyclo[4.1.0]heptan-7-amine
PubChem CID82418977
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3-azabicyclo[4.1.0]heptan-7-amine
SMILESNC1C2CCNCC12
InChIInChI=1S/C6H12N2/c7-6-4-1-2-8-3-5(4)6/h4-6,8H,1-3,7H2
InChIKeyUEWYNNMEOGXSOQ-UHFFFAOYSA-N
XLogP-0.45
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 ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[4.1.0]heptan-7-amine?
The IUPAC name of 3-azabicyclo[4.1.0]heptan-7-amine (CID 82418977) is 3-azabicyclo[4.1.0]heptan-7-amine.
What is the SMILES notation for 3-azabicyclo[4.1.0]heptan-7-amine?
The canonical SMILES for 3-azabicyclo[4.1.0]heptan-7-amine is NC1C2CCNCC12.
What is the InChIKey of 3-azabicyclo[4.1.0]heptan-7-amine?
The InChIKey is UEWYNNMEOGXSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c7-6-4-1-2-8-3-5(4)6/h4-6,8H,1-3,7H2.
What are the key properties of 3-azabicyclo[4.1.0]heptan-7-amine?
3-azabicyclo[4.1.0]heptan-7-amine has a molecular weight of 112.18 g/mol, XLogP of -0.45, 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-7-amine is sourced from PubChem (CID 82418977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).