2-hydroxy-4-propylcyclohexane-1-carbonitrile

C10H17NO — CID 43292878

IUPAC2-hydroxy-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(O)C1
InChIInChI=1S/C10H17NO/c1-2-3-8-4-5-9(7-11)10(12)6-8/h8-10,12H,2-6H2,1H3
InChIKeyDKJQRFXNGAKEQK-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.09
Rot. Bonds2

About 2-hydroxy-4-propylcyclohexane-1-carbonitrile

2-hydroxy-4-propylcyclohexane-1-carbonitrile (PubChem CID 43292878) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-hydroxy-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-4-propylcyclohexane-1-carbonitrile
PubChem CID43292878
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-hydroxy-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(O)C1
InChIInChI=1S/C10H17NO/c1-2-3-8-4-5-9(7-11)10(12)6-8/h8-10,12H,2-6H2,1H3
InChIKeyDKJQRFXNGAKEQK-UHFFFAOYSA-N
XLogP2.09
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile
CID 123481160
2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 62861497
2-ethyl-5-propylcyclohexan-1-ol
CID 58534322
2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 55060731
4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile
CID 43291506
2-ethylsulfinyl-4-propylcyclohexane-1-carbonitrile
CID 64691505
2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile
CID 43291716
2-butoxy-4-propylcyclohexane-1-carbonitrile
CID 43292944
2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile
CID 61441188
(2S)-2-methyl-4-propylcyclohexan-1-ol
CID 177268723
2-[(2-cyano-5-propylcyclohexyl)-methylamino]-N,N-diethylacetamide
CID 61451259
2-[methyl-[(4-methylphenyl)methyl]amino]-4-propylcyclohexane-1-carbonitrile
CID 43291824

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 2-hydroxy-4-propylcyclohexane-1-carbonitrile (CID 43292878) is 2-hydroxy-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-hydroxy-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-hydroxy-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)C(O)C1.
What is the InChIKey of 2-hydroxy-4-propylcyclohexane-1-carbonitrile?
The InChIKey is DKJQRFXNGAKEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-8-4-5-9(7-11)10(12)6-8/h8-10,12H,2-6H2,1H3.
What are the key properties of 2-hydroxy-4-propylcyclohexane-1-carbonitrile?
2-hydroxy-4-propylcyclohexane-1-carbonitrile has a molecular weight of 167.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43292878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).