5-cyclopropyl-2-pentyldecanenitrile

C18H33N — CID 67872416

IUPAC5-cyclopropyl-2-pentyldecanenitrile
SMILESCCCCCC(C#N)CCC(CCCCC)C1CC1
InChIInChI=1S/C18H33N/c1-3-5-7-9-16(15-19)11-12-17(18-13-14-18)10-8-6-4-2/h16-18H,3-14H2,1-2H3
InChIKeyQVZXLMKTZTWPFF-UHFFFAOYSA-N
MW263.47 g/mol
LogP6.09
Rot. Bonds12

About 5-cyclopropyl-2-pentyldecanenitrile

5-cyclopropyl-2-pentyldecanenitrile (PubChem CID 67872416) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 5-cyclopropyl-2-pentyldecanenitrile.

Molecular Properties

Compound Name5-cyclopropyl-2-pentyldecanenitrile
PubChem CID67872416
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name5-cyclopropyl-2-pentyldecanenitrile
SMILESCCCCCC(C#N)CCC(CCCCC)C1CC1
InChIInChI=1S/C18H33N/c1-3-5-7-9-16(15-19)11-12-17(18-13-14-18)10-8-6-4-2/h16-18H,3-14H2,1-2H3
InChIKeyQVZXLMKTZTWPFF-UHFFFAOYSA-N
XLogP6.09
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-octadecylicosanenitrile
CID 89491101
2-octyldodecanenitrile
CID 87721815
2-propylhexadecanenitrile
CID 54538320
hexadecan-8-ylcyclohexane
CID 91510029
undecan-5-ylcyclohexane
CID 524419
2-cyclopropylheptylcyclohexane
CID 57268487
4-cyclopropylheptadecanoic acid
CID 68637833
2-butylheptanedinitrile
CID 175152726
nonan-3-ylcyclopentane
CID 19893531
1-decan-4-yl-4-(4-iodocyclohexyl)cyclohexane
CID 121463193
2-(hydroxymethyl)undecanenitrile
CID 63215515
1-cyclopropyltetradecan-1-ol
CID 63461268

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-pentyldecanenitrile?
The IUPAC name of 5-cyclopropyl-2-pentyldecanenitrile (CID 67872416) is 5-cyclopropyl-2-pentyldecanenitrile.
What is the SMILES notation for 5-cyclopropyl-2-pentyldecanenitrile?
The canonical SMILES for 5-cyclopropyl-2-pentyldecanenitrile is CCCCCC(C#N)CCC(CCCCC)C1CC1.
What is the InChIKey of 5-cyclopropyl-2-pentyldecanenitrile?
The InChIKey is QVZXLMKTZTWPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-3-5-7-9-16(15-19)11-12-17(18-13-14-18)10-8-6-4-2/h16-18H,3-14H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-pentyldecanenitrile?
5-cyclopropyl-2-pentyldecanenitrile has a molecular weight of 263.47 g/mol, XLogP of 6.09, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-pentyldecanenitrile is sourced from PubChem (CID 67872416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).