(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile

C11H19N — CID 93286230

IUPAC(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
SMILESCC(C)[C@@H]1CC[C@H](C)C[C@H]1C#N
InChIInChI=1S/C11H19N/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-6H2,1-3H3/t9-,10-,11-/m0/s1
InChIKeyAWVUYKHSNNYPOX-DCAQKATOSA-N
MW165.28 g/mol
LogP3.22
Rot. Bonds1

About (1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile

(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile (PubChem CID 93286230) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
PubChem CID93286230
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
SMILESCC(C)[C@@H]1CC[C@H](C)C[C@H]1C#N
InChIInChI=1S/C11H19N/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-6H2,1-3H3/t9-,10-,11-/m0/s1
InChIKeyAWVUYKHSNNYPOX-DCAQKATOSA-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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Related Compounds

2-propan-2-ylcyclobutane-1-carbonitrile
CID 122449449
5-bromo-2-propan-2-ylcyclohexane-1-carbonitrile
CID 165498220
cis-(1S,2R)-2-propan-2-ylcyclopropane-1-carbonitrile
CID 89002737
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfonylformonitrile
CID 15325099
ethanol;N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile;sulfurochloridic acid
CID 159773161
(1R,2R,3R,6S)-3,6-bis[(5-methyl-2-propan-2-ylcyclohexyl)oxy]cyclohex-4-ene-1,2-dicarbonitrile
CID 100959979
dimethyl-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 177420575
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931
4-methyl-2-[3-(5-methyl-2-propan-2-ylcyclohexyl)buta-1,3-dien-2-yl]-1-propan-2-ylcyclohexane
CID 54004505
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile?
The IUPAC name of (1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile (CID 93286230) is (1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for (1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile?
The canonical SMILES for (1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile is CC(C)[C@@H]1CC[C@H](C)C[C@H]1C#N.
What is the InChIKey of (1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile?
The InChIKey is AWVUYKHSNNYPOX-DCAQKATOSA-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/t9-,10-,11-/m0/s1.
What are the key properties of (1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile?
(1R,2S,5S)-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 (1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 93286230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).