3-(6-amino-2-azaspiro[3.3]heptan-2-yl)propanenitrile

C9H15N3 — CID 155892886

IUPAC3-(6-amino-2-azaspiro[3.3]heptan-2-yl)propanenitrile
SMILESN#CCCN1CC2(CC(N)C2)C1
InChIInChI=1S/C9H15N3/c10-2-1-3-12-6-9(7-12)4-8(11)5-9/h8H,1,3-7,11H2
InChIKeyMQNZFHICEZZZDV-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.32
Rot. Bonds2

About 3-(6-amino-2-azaspiro[3.3]heptan-2-yl)propanenitrile

3-(6-amino-2-azaspiro[3.3]heptan-2-yl)propanenitrile (PubChem CID 155892886) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(6-amino-2-azaspiro[3.3]heptan-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(6-amino-2-azaspiro[3.3]heptan-2-yl)propanenitrile
PubChem CID155892886
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-(6-amino-2-azaspiro[3.3]heptan-2-yl)propanenitrile
SMILESN#CCCN1CC2(CC(N)C2)C1
InChIInChI=1S/C9H15N3/c10-2-1-3-12-6-9(7-12)4-8(11)5-9/h8H,1,3-7,11H2
InChIKeyMQNZFHICEZZZDV-UHFFFAOYSA-N
XLogP0.32
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2-azaspiro[3.3]heptan-2-yl)propanenitrile?
The IUPAC name of 3-(6-amino-2-azaspiro[3.3]heptan-2-yl)propanenitrile (CID 155892886) is 3-(6-amino-2-azaspiro[3.3]heptan-2-yl)propanenitrile.
What is the SMILES notation for 3-(6-amino-2-azaspiro[3.3]heptan-2-yl)propanenitrile?
The canonical SMILES for 3-(6-amino-2-azaspiro[3.3]heptan-2-yl)propanenitrile is N#CCCN1CC2(CC(N)C2)C1.
What is the InChIKey of 3-(6-amino-2-azaspiro[3.3]heptan-2-yl)propanenitrile?
The InChIKey is MQNZFHICEZZZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c10-2-1-3-12-6-9(7-12)4-8(11)5-9/h8H,1,3-7,11H2.
What are the key properties of 3-(6-amino-2-azaspiro[3.3]heptan-2-yl)propanenitrile?
3-(6-amino-2-azaspiro[3.3]heptan-2-yl)propanenitrile has a molecular weight of 165.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2-azaspiro[3.3]heptan-2-yl)propanenitrile is sourced from PubChem (CID 155892886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).