ethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile

C10H18N2 — CID 171103608

IUPACethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile
SMILESCC.CN1CCC(C#N)C12CC2
InChIInChI=1S/C8H12N2.C2H6/c1-10-5-2-7(6-9)8(10)3-4-8;1-2/h7H,2-5H2,1H3;1-2H3
InChIKeyYVQHHTOJPOQBBX-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.02
Rot. Bonds

About ethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile

ethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile (PubChem CID 171103608) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is ethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile.

Molecular Properties

Compound Nameethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile
PubChem CID171103608
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile
SMILESCC.CN1CCC(C#N)C12CC2
InChIInChI=1S/C8H12N2.C2H6/c1-10-5-2-7(6-9)8(10)3-4-8;1-2/h7H,2-5H2,1H3;1-2H3
InChIKeyYVQHHTOJPOQBBX-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile?
The IUPAC name of ethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile (CID 171103608) is ethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile.
What is the SMILES notation for ethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile?
The canonical SMILES for ethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile is CC.CN1CCC(C#N)C12CC2.
What is the InChIKey of ethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile?
The InChIKey is YVQHHTOJPOQBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C2H6/c1-10-5-2-7(6-9)8(10)3-4-8;1-2/h7H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile?
ethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile is sourced from PubChem (CID 171103608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).