4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]butanenitrile

C10H17N3 — CID 163210590

IUPAC4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]butanenitrile
SMILESN#CCCCN1C[C@@H](N)C2(CC2)C1
InChIInChI=1S/C10H17N3/c11-5-1-2-6-13-7-9(12)10(8-13)3-4-10/h9H,1-4,6-8,12H2/t9-/m1/s1
InChIKeyBVRLLWKUVMHELL-SECBINFHSA-N
MW179.27 g/mol
LogP0.71
Rot. Bonds3

About 4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]butanenitrile

4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]butanenitrile (PubChem CID 163210590) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]butanenitrile.

Molecular Properties

Compound Name4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]butanenitrile
PubChem CID163210590
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]butanenitrile
SMILESN#CCCCN1C[C@@H](N)C2(CC2)C1
InChIInChI=1S/C10H17N3/c11-5-1-2-6-13-7-9(12)10(8-13)3-4-10/h9H,1-4,6-8,12H2/t9-/m1/s1
InChIKeyBVRLLWKUVMHELL-SECBINFHSA-N
XLogP0.71
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]butanenitrile?
The IUPAC name of 4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]butanenitrile (CID 163210590) is 4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]butanenitrile.
What is the SMILES notation for 4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]butanenitrile?
The canonical SMILES for 4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]butanenitrile is N#CCCCN1C[C@@H](N)C2(CC2)C1.
What is the InChIKey of 4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]butanenitrile?
The InChIKey is BVRLLWKUVMHELL-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N3/c11-5-1-2-6-13-7-9(12)10(8-13)3-4-10/h9H,1-4,6-8,12H2/t9-/m1/s1.
What are the key properties of 4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]butanenitrile?
4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]butanenitrile has a molecular weight of 179.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]butanenitrile is sourced from PubChem (CID 163210590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).