5-cyclopropyl-2-methylpentanal;3-(dimethylamino)propanenitrile

C14H26N2O — CID 143629790

IUPAC5-cyclopropyl-2-methylpentanal;3-(dimethylamino)propanenitrile
SMILESCC(C=O)CCCC1CC1.CN(C)CCC#N
InChIInChI=1S/C9H16O.C5H10N2/c1-8(7-10)3-2-4-9-5-6-9;1-7(2)5-3-4-6/h7-9H,2-6H2,1H3;3,5H2,1-2H3
InChIKeyYSLLEECFIMKVFJ-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.86
Rot. Bonds7

About 5-cyclopropyl-2-methylpentanal;3-(dimethylamino)propanenitrile

5-cyclopropyl-2-methylpentanal;3-(dimethylamino)propanenitrile (PubChem CID 143629790) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is 5-cyclopropyl-2-methylpentanal;3-(dimethylamino)propanenitrile.

Molecular Properties

Compound Name5-cyclopropyl-2-methylpentanal;3-(dimethylamino)propanenitrile
PubChem CID143629790
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name5-cyclopropyl-2-methylpentanal;3-(dimethylamino)propanenitrile
SMILESCC(C=O)CCCC1CC1.CN(C)CCC#N
InChIInChI=1S/C9H16O.C5H10N2/c1-8(7-10)3-2-4-9-5-6-9;1-7(2)5-3-4-6/h7-9H,2-6H2,1H3;3,5H2,1-2H3
InChIKeyYSLLEECFIMKVFJ-UHFFFAOYSA-N
XLogP2.86
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[4-[methyl(propan-2-yl)amino]cyclohexyl]propanenitrile
CID 144865572
4-(dimethylamino)butanenitrile;hydrobromide
CID 46786342
3-[2-cyclobutylethyl(methyl)amino]propanenitrile
CID 115231300
3-cyclopropylpropanenitrile
CID 12768628
5-[4-(4-propylcyclohexyl)cyclohexyl]pentanenitrile
CID 18611515
dipotassium;3-(dimethylamino)propanenitrile;sulfate
CID 174389046
5-cyclopropylpentan-2-ol
CID 67118909
3-[4-[4-[2-(dimethylamino)ethyl]cyclohexyl]cyclohexyl]-N,N-dimethylpropan-1-amine
CID 173086070
3-[(4-ethylcyclohexyl)-methylamino]propanenitrile
CID 61450909
3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile
CID 144865539
4-[4-[2-[4-[2-cyano-2-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexyl]butanenitrile
CID 18605239
4-[cyclopentylmethyl(methyl)amino]butanenitrile
CID 62060389

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methylpentanal;3-(dimethylamino)propanenitrile?
The IUPAC name of 5-cyclopropyl-2-methylpentanal;3-(dimethylamino)propanenitrile (CID 143629790) is 5-cyclopropyl-2-methylpentanal;3-(dimethylamino)propanenitrile.
What is the SMILES notation for 5-cyclopropyl-2-methylpentanal;3-(dimethylamino)propanenitrile?
The canonical SMILES for 5-cyclopropyl-2-methylpentanal;3-(dimethylamino)propanenitrile is CC(C=O)CCCC1CC1.CN(C)CCC#N.
What is the InChIKey of 5-cyclopropyl-2-methylpentanal;3-(dimethylamino)propanenitrile?
The InChIKey is YSLLEECFIMKVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.C5H10N2/c1-8(7-10)3-2-4-9-5-6-9;1-7(2)5-3-4-6/h7-9H,2-6H2,1H3;3,5H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-methylpentanal;3-(dimethylamino)propanenitrile?
5-cyclopropyl-2-methylpentanal;3-(dimethylamino)propanenitrile has a molecular weight of 238.38 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methylpentanal;3-(dimethylamino)propanenitrile is sourced from PubChem (CID 143629790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).