3-cycloheptylpropanenitrile

C10H17N — CID 13164045

IUPAC3-cycloheptylpropanenitrile
SMILESN#CCCC1CCCCCC1
InChIInChI=1S/C10H17N/c11-9-5-8-10-6-3-1-2-4-7-10/h10H,1-8H2
InChIKeyMHLIWISGWFMRES-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.26
Rot. Bonds2

About 3-cycloheptylpropanenitrile

3-cycloheptylpropanenitrile (PubChem CID 13164045) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-cycloheptylpropanenitrile.

Molecular Properties

Compound Name3-cycloheptylpropanenitrile
PubChem CID13164045
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-cycloheptylpropanenitrile
SMILESN#CCCC1CCCCCC1
InChIInChI=1S/C10H17N/c11-9-5-8-10-6-3-1-2-4-7-10/h10H,1-8H2
InChIKeyMHLIWISGWFMRES-UHFFFAOYSA-N
XLogP3.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(4-hydroxycyclohexyl)propanenitrile
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5-(2-cyclohexylethyl)-1,3,4-thiadiazol-2-amine;3-cyclohexylpropanenitrile
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3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile
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3-[2-cyclobutylethyl(methyl)amino]propanenitrile
CID 115231300
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696
3-(cyclopentylmethylsulfanyl)propanenitrile
CID 63119318
3-(cyclopentylmethoxy)propanenitrile
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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptylpropanenitrile?
The IUPAC name of 3-cycloheptylpropanenitrile (CID 13164045) is 3-cycloheptylpropanenitrile.
What is the SMILES notation for 3-cycloheptylpropanenitrile?
The canonical SMILES for 3-cycloheptylpropanenitrile is N#CCCC1CCCCCC1.
What is the InChIKey of 3-cycloheptylpropanenitrile?
The InChIKey is MHLIWISGWFMRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c11-9-5-8-10-6-3-1-2-4-7-10/h10H,1-8H2.
What are the key properties of 3-cycloheptylpropanenitrile?
3-cycloheptylpropanenitrile has a molecular weight of 151.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptylpropanenitrile is sourced from PubChem (CID 13164045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).