1-methylcyclododecane-1-carbonitrile

C14H25N — CID 12859574

IUPAC1-methylcyclododecane-1-carbonitrile
SMILESCC1(C#N)CCCCCCCCCCC1
InChIInChI=1S/C14H25N/c1-14(13-15)11-9-7-5-3-2-4-6-8-10-12-14/h2-12H2,1H3
InChIKeyNGLKFMHUZHUMLY-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.82
Rot. Bonds

About 1-methylcyclododecane-1-carbonitrile

1-methylcyclododecane-1-carbonitrile (PubChem CID 12859574) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-methylcyclododecane-1-carbonitrile.

Molecular Properties

Compound Name1-methylcyclododecane-1-carbonitrile
PubChem CID12859574
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-methylcyclododecane-1-carbonitrile
SMILESCC1(C#N)CCCCCCCCCCC1
InChIInChI=1S/C14H25N/c1-14(13-15)11-9-7-5-3-2-4-6-8-10-12-14/h2-12H2,1H3
InChIKeyNGLKFMHUZHUMLY-UHFFFAOYSA-N
XLogP4.82
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-Cyclohexyl-2-methylpropionitrile
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Nsc99238
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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclododecane-1-carbonitrile?
The IUPAC name of 1-methylcyclododecane-1-carbonitrile (CID 12859574) is 1-methylcyclododecane-1-carbonitrile.
What is the SMILES notation for 1-methylcyclododecane-1-carbonitrile?
The canonical SMILES for 1-methylcyclododecane-1-carbonitrile is CC1(C#N)CCCCCCCCCCC1.
What is the InChIKey of 1-methylcyclododecane-1-carbonitrile?
The InChIKey is NGLKFMHUZHUMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-14(13-15)11-9-7-5-3-2-4-6-8-10-12-14/h2-12H2,1H3.
What are the key properties of 1-methylcyclododecane-1-carbonitrile?
1-methylcyclododecane-1-carbonitrile has a molecular weight of 207.36 g/mol, XLogP of 4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclododecane-1-carbonitrile is sourced from PubChem (CID 12859574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).