5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile

C11H19N — CID 18402457

IUPAC5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
SMILESCC1CCC(C(C)C)C(C#N)C1
InChIInChI=1S/C11H19N/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-6H2,1-3H3
InChIKeyAWVUYKHSNNYPOX-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.22
Rot. Bonds1

About 5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile

5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile (PubChem CID 18402457) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
PubChem CID18402457
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
SMILESCC1CCC(C(C)C)C(C#N)C1
InChIInChI=1S/C11H19N/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-6H2,1-3H3
InChIKeyAWVUYKHSNNYPOX-UHFFFAOYSA-N
XLogP3.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile?
The IUPAC name of 5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile (CID 18402457) is 5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile is CC1CCC(C(C)C)C(C#N)C1.
What is the InChIKey of 5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile?
The InChIKey is AWVUYKHSNNYPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-6H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile?
5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile has a molecular weight of 165.28 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 18402457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).