2-aminospiro[3.3]heptane-2-carbonitrile

C8H12N2 — CID 131553755

IUPAC2-aminospiro[3.3]heptane-2-carbonitrile
SMILESN#CC1(N)CC2(CCC2)C1
InChIInChI=1S/C8H12N2/c9-6-8(10)4-7(5-8)2-1-3-7/h1-5,10H2
InChIKeyVYPAIICZHCYNRP-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.17
Rot. Bonds

About 2-aminospiro[3.3]heptane-2-carbonitrile

2-aminospiro[3.3]heptane-2-carbonitrile (PubChem CID 131553755) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-aminospiro[3.3]heptane-2-carbonitrile.

Molecular Properties

Compound Name2-aminospiro[3.3]heptane-2-carbonitrile
PubChem CID131553755
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-aminospiro[3.3]heptane-2-carbonitrile
SMILESN#CC1(N)CC2(CCC2)C1
InChIInChI=1S/C8H12N2/c9-6-8(10)4-7(5-8)2-1-3-7/h1-5,10H2
InChIKeyVYPAIICZHCYNRP-UHFFFAOYSA-N
XLogP1.17
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-aminospiro[3.3]heptane-2-carbonitrile?
The IUPAC name of 2-aminospiro[3.3]heptane-2-carbonitrile (CID 131553755) is 2-aminospiro[3.3]heptane-2-carbonitrile.
What is the SMILES notation for 2-aminospiro[3.3]heptane-2-carbonitrile?
The canonical SMILES for 2-aminospiro[3.3]heptane-2-carbonitrile is N#CC1(N)CC2(CCC2)C1.
What is the InChIKey of 2-aminospiro[3.3]heptane-2-carbonitrile?
The InChIKey is VYPAIICZHCYNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-6-8(10)4-7(5-8)2-1-3-7/h1-5,10H2.
What are the key properties of 2-aminospiro[3.3]heptane-2-carbonitrile?
2-aminospiro[3.3]heptane-2-carbonitrile has a molecular weight of 136.20 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminospiro[3.3]heptane-2-carbonitrile is sourced from PubChem (CID 131553755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).