3-cycloheptyl-4-methylpentanenitrile

C13H23N — CID 67965057

IUPAC3-cycloheptyl-4-methylpentanenitrile
SMILESCC(C)C(CC#N)C1CCCCCC1
InChIInChI=1S/C13H23N/c1-11(2)13(9-10-14)12-7-5-3-4-6-8-12/h11-13H,3-9H2,1-2H3
InChIKeyZZPIOSWUCPAILB-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.14
Rot. Bonds3

About 3-cycloheptyl-4-methylpentanenitrile

3-cycloheptyl-4-methylpentanenitrile (PubChem CID 67965057) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3-cycloheptyl-4-methylpentanenitrile.

Molecular Properties

Compound Name3-cycloheptyl-4-methylpentanenitrile
PubChem CID67965057
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3-cycloheptyl-4-methylpentanenitrile
SMILESCC(C)C(CC#N)C1CCCCCC1
InChIInChI=1S/C13H23N/c1-11(2)13(9-10-14)12-7-5-3-4-6-8-12/h11-13H,3-9H2,1-2H3
InChIKeyZZPIOSWUCPAILB-UHFFFAOYSA-N
XLogP4.14
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexyl-4-fluoropentanenitrile
CID 105440768
(3R)-3-cyclopentylbutanenitrile
CID 142587124
3-cyclohexyl-4-methylpentan-1-ol
CID 121406245
3-(cyclohexylmethyl)-4-methylpentanenitrile
CID 67965037
(2S)-2-cyclohexyl-3-methylbutan-1-amine
CID 96739435
(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
CID 143562846
2,5-dimethylhexan-3-ylcyclohexane
CID 90926992
2-methyloctan-3-ylcycloheptane
CID 123273196
(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-4-methylpentanenitrile
CID 907270
2-cyclopentyl-3-methylbutan-1-ol
CID 23384800
2-[[(1R)-1-cyclohexylethyl]amino]acetonitrile
CID 81385869
3-cyclopropyl-4,4-difluorobutanenitrile
CID 105428729

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-4-methylpentanenitrile?
The IUPAC name of 3-cycloheptyl-4-methylpentanenitrile (CID 67965057) is 3-cycloheptyl-4-methylpentanenitrile.
What is the SMILES notation for 3-cycloheptyl-4-methylpentanenitrile?
The canonical SMILES for 3-cycloheptyl-4-methylpentanenitrile is CC(C)C(CC#N)C1CCCCCC1.
What is the InChIKey of 3-cycloheptyl-4-methylpentanenitrile?
The InChIKey is ZZPIOSWUCPAILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-11(2)13(9-10-14)12-7-5-3-4-6-8-12/h11-13H,3-9H2,1-2H3.
What are the key properties of 3-cycloheptyl-4-methylpentanenitrile?
3-cycloheptyl-4-methylpentanenitrile has a molecular weight of 193.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-4-methylpentanenitrile is sourced from PubChem (CID 67965057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).