4-propan-2-ylcyclohexane-1-carbonitrile

C20H34N2 — CID 160915372

IUPAC4-propan-2-ylcyclohexane-1-carbonitrile
SMILESCC(C)C1CCC(C#N)CC1.CC(C)C1CCC(C#N)CC1
InChIInChI=1S/2C10H17N/c2*1-8(2)10-5-3-9(7-11)4-6-10/h2*8-10H,3-6H2,1-2H3
InChIKeySRIGBVHZBZLKFE-UHFFFAOYSA-N
MW302.51 g/mol
LogP5.94
Rot. Bonds2

About 4-propan-2-ylcyclohexane-1-carbonitrile

4-propan-2-ylcyclohexane-1-carbonitrile (PubChem CID 160915372) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 4-propan-2-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-propan-2-ylcyclohexane-1-carbonitrile
PubChem CID160915372
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name4-propan-2-ylcyclohexane-1-carbonitrile
SMILESCC(C)C1CCC(C#N)CC1.CC(C)C1CCC(C#N)CC1
InChIInChI=1S/2C10H17N/c2*1-8(2)10-5-3-9(7-11)4-6-10/h2*8-10H,3-6H2,1-2H3
InChIKeySRIGBVHZBZLKFE-UHFFFAOYSA-N
XLogP5.94
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(6-methylnonan-3-yl)cyclohexane-1-carbonitrile
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2-propan-2-ylcyclobutane-1-carbonitrile
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CID 153149289
CID 153149289
4-[4-(1,2-dibromoethyl)cyclohexyl]cyclohexane-1-carbonitrile
CID 143189094
4-(aminomethyl)cyclohexane-1-carbonitrile;ethane
CID 171503832
cyclooctanecarbonitrile
CID 13075060
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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylcyclohexane-1-carbonitrile?
The IUPAC name of 4-propan-2-ylcyclohexane-1-carbonitrile (CID 160915372) is 4-propan-2-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 4-propan-2-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 4-propan-2-ylcyclohexane-1-carbonitrile is CC(C)C1CCC(C#N)CC1.CC(C)C1CCC(C#N)CC1.
What is the InChIKey of 4-propan-2-ylcyclohexane-1-carbonitrile?
The InChIKey is SRIGBVHZBZLKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17N/c2*1-8(2)10-5-3-9(7-11)4-6-10/h2*8-10H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-ylcyclohexane-1-carbonitrile?
4-propan-2-ylcyclohexane-1-carbonitrile has a molecular weight of 302.51 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 160915372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).