1-ethyl-4-propylcyclohexane-1-carbonitrile

C12H21N — CID 65425800

IUPAC1-ethyl-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(CC)CC1
InChIInChI=1S/C12H21N/c1-3-5-11-6-8-12(4-2,10-13)9-7-11/h11H,3-9H2,1-2H3
InChIKeyRLWFDEBQFLBEBM-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.90
Rot. Bonds3

About 1-ethyl-4-propylcyclohexane-1-carbonitrile

1-ethyl-4-propylcyclohexane-1-carbonitrile (PubChem CID 65425800) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-ethyl-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-ethyl-4-propylcyclohexane-1-carbonitrile
PubChem CID65425800
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-ethyl-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(CC)CC1
InChIInChI=1S/C12H21N/c1-3-5-11-6-8-12(4-2,10-13)9-7-11/h11H,3-9H2,1-2H3
InChIKeyRLWFDEBQFLBEBM-UHFFFAOYSA-N
XLogP3.90
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-heptyl-1-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carbonitrile
CID 18596732
1-(3-ethylsulfonylpropyl)-4-propylcyclohexane-1-carbonitrile
CID 65422906
1-[(3,5-dimethylphenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65424458
1-(dimethylamino)-4-propylcyclohexane-1-carbonitrile
CID 60917267
4-pentyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane-1-carbonitrile
CID 18597062
1-[2-(3-methylbutoxy)ethyl]-4-propylcyclohexane-1-carbonitrile
CID 65423679
4-butyl-1-[2-(4-heptylcyclohexyl)ethyl]cyclohexane-1-carbonitrile
CID 18596716
1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65425616
1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65424072
1-ethylcyclopentane-1-carbonitrile
CID 12859571
4-[2-(4-butylcyclohexyl)ethyl]-1-hexylcyclohexane-1-carbonitrile
CID 18596849
1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 82871247

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 1-ethyl-4-propylcyclohexane-1-carbonitrile (CID 65425800) is 1-ethyl-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-ethyl-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-ethyl-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)(CC)CC1.
What is the InChIKey of 1-ethyl-4-propylcyclohexane-1-carbonitrile?
The InChIKey is RLWFDEBQFLBEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-5-11-6-8-12(4-2,10-13)9-7-11/h11H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-4-propylcyclohexane-1-carbonitrile?
1-ethyl-4-propylcyclohexane-1-carbonitrile has a molecular weight of 179.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 65425800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).