5-azaspiro[2.4]heptan-7-amine

C6H12N2 — CID 11819059

IUPAC5-azaspiro[2.4]heptan-7-amine
SMILESNC1CNCC12CC2
InChIInChI=1S/C6H12N2/c7-5-3-8-4-6(5)1-2-6/h5,8H,1-4,7H2
InChIKeyVBTBUCYRQSUCCE-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.30
Rot. Bonds

About 5-azaspiro[2.4]heptan-7-amine

5-azaspiro[2.4]heptan-7-amine (PubChem CID 11819059) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 5-azaspiro[2.4]heptan-7-amine.

Molecular Properties

Compound Name5-azaspiro[2.4]heptan-7-amine
PubChem CID11819059
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name5-azaspiro[2.4]heptan-7-amine
SMILESNC1CNCC12CC2
InChIInChI=1S/C6H12N2/c7-5-3-8-4-6(5)1-2-6/h5,8H,1-4,7H2
InChIKeyVBTBUCYRQSUCCE-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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Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.4]heptan-7-amine?
The IUPAC name of 5-azaspiro[2.4]heptan-7-amine (CID 11819059) is 5-azaspiro[2.4]heptan-7-amine.
What is the SMILES notation for 5-azaspiro[2.4]heptan-7-amine?
The canonical SMILES for 5-azaspiro[2.4]heptan-7-amine is NC1CNCC12CC2.
What is the InChIKey of 5-azaspiro[2.4]heptan-7-amine?
The InChIKey is VBTBUCYRQSUCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c7-5-3-8-4-6(5)1-2-6/h5,8H,1-4,7H2.
What are the key properties of 5-azaspiro[2.4]heptan-7-amine?
5-azaspiro[2.4]heptan-7-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 5-azaspiro[2.4]heptan-7-amine is sourced from PubChem (CID 11819059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).