2-[2-(2-ethylpentyl)cyclopropyl]propanenitrile

C13H23N — CID 134480058

IUPAC2-[2-(2-ethylpentyl)cyclopropyl]propanenitrile
SMILESCCCC(CC)CC1CC1C(C)C#N
InChIInChI=1S/C13H23N/c1-4-6-11(5-2)7-12-8-13(12)10(3)9-14/h10-13H,4-8H2,1-3H3
InChIKeyFEBGFYSAWYVRNG-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.00
Rot. Bonds6

About 2-[2-(2-ethylpentyl)cyclopropyl]propanenitrile

2-[2-(2-ethylpentyl)cyclopropyl]propanenitrile (PubChem CID 134480058) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-[2-(2-ethylpentyl)cyclopropyl]propanenitrile.

Molecular Properties

Compound Name2-[2-(2-ethylpentyl)cyclopropyl]propanenitrile
PubChem CID134480058
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-[2-(2-ethylpentyl)cyclopropyl]propanenitrile
SMILESCCCC(CC)CC1CC1C(C)C#N
InChIInChI=1S/C13H23N/c1-4-6-11(5-2)7-12-8-13(12)10(3)9-14/h10-13H,4-8H2,1-3H3
InChIKeyFEBGFYSAWYVRNG-UHFFFAOYSA-N
XLogP4.00
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylpentyl)cyclopropyl]propanenitrile?
The IUPAC name of 2-[2-(2-ethylpentyl)cyclopropyl]propanenitrile (CID 134480058) is 2-[2-(2-ethylpentyl)cyclopropyl]propanenitrile.
What is the SMILES notation for 2-[2-(2-ethylpentyl)cyclopropyl]propanenitrile?
The canonical SMILES for 2-[2-(2-ethylpentyl)cyclopropyl]propanenitrile is CCCC(CC)CC1CC1C(C)C#N.
What is the InChIKey of 2-[2-(2-ethylpentyl)cyclopropyl]propanenitrile?
The InChIKey is FEBGFYSAWYVRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-6-11(5-2)7-12-8-13(12)10(3)9-14/h10-13H,4-8H2,1-3H3.
What are the key properties of 2-[2-(2-ethylpentyl)cyclopropyl]propanenitrile?
2-[2-(2-ethylpentyl)cyclopropyl]propanenitrile has a molecular weight of 193.33 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylpentyl)cyclopropyl]propanenitrile is sourced from PubChem (CID 134480058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).