(7S)-5-azaspiro[2.4]heptan-7-amine

C6H12N2 — CID 11829393

IUPAC(7S)-5-azaspiro[2.4]heptan-7-amine
SMILESN[C@@H]1CNCC12CC2
InChIInChI=1S/C6H12N2/c7-5-3-8-4-6(5)1-2-6/h5,8H,1-4,7H2/t5-/m1/s1
InChIKeyVBTBUCYRQSUCCE-RXMQYKEDSA-N
MW112.18 g/mol
LogP-0.30
Rot. Bonds

About (7S)-5-azaspiro[2.4]heptan-7-amine

(7S)-5-azaspiro[2.4]heptan-7-amine (PubChem CID 11829393) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (7S)-5-azaspiro[2.4]heptan-7-amine.

Molecular Properties

Compound Name(7S)-5-azaspiro[2.4]heptan-7-amine
PubChem CID11829393
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(7S)-5-azaspiro[2.4]heptan-7-amine
SMILESN[C@@H]1CNCC12CC2
InChIInChI=1S/C6H12N2/c7-5-3-8-4-6(5)1-2-6/h5,8H,1-4,7H2/t5-/m1/s1
InChIKeyVBTBUCYRQSUCCE-RXMQYKEDSA-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 (7S)-5-azaspiro[2.4]heptan-7-amine?
The IUPAC name of (7S)-5-azaspiro[2.4]heptan-7-amine (CID 11829393) is (7S)-5-azaspiro[2.4]heptan-7-amine.
What is the SMILES notation for (7S)-5-azaspiro[2.4]heptan-7-amine?
The canonical SMILES for (7S)-5-azaspiro[2.4]heptan-7-amine is N[C@@H]1CNCC12CC2.
What is the InChIKey of (7S)-5-azaspiro[2.4]heptan-7-amine?
The InChIKey is VBTBUCYRQSUCCE-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12N2/c7-5-3-8-4-6(5)1-2-6/h5,8H,1-4,7H2/t5-/m1/s1.
What are the key properties of (7S)-5-azaspiro[2.4]heptan-7-amine?
(7S)-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 (7S)-5-azaspiro[2.4]heptan-7-amine is sourced from PubChem (CID 11829393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).