3-[4-(dimethylamino)cyclohexyl]propanenitrile

C11H20N2 — CID 118178445

IUPAC3-[4-(dimethylamino)cyclohexyl]propanenitrile
SMILESCN(C)C1CCC(CCC#N)CC1
InChIInChI=1S/C11H20N2/c1-13(2)11-7-5-10(6-8-11)4-3-9-12/h10-11H,3-8H2,1-2H3
InChIKeyPCKNDBNFGLAMBN-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.41
Rot. Bonds3

About 3-[4-(dimethylamino)cyclohexyl]propanenitrile

3-[4-(dimethylamino)cyclohexyl]propanenitrile (PubChem CID 118178445) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-[4-(dimethylamino)cyclohexyl]propanenitrile.

Molecular Properties

Compound Name3-[4-(dimethylamino)cyclohexyl]propanenitrile
PubChem CID118178445
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-[4-(dimethylamino)cyclohexyl]propanenitrile
SMILESCN(C)C1CCC(CCC#N)CC1
InChIInChI=1S/C11H20N2/c1-13(2)11-7-5-10(6-8-11)4-3-9-12/h10-11H,3-8H2,1-2H3
InChIKeyPCKNDBNFGLAMBN-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)cyclohexyl]propanenitrile?
The IUPAC name of 3-[4-(dimethylamino)cyclohexyl]propanenitrile (CID 118178445) is 3-[4-(dimethylamino)cyclohexyl]propanenitrile.
What is the SMILES notation for 3-[4-(dimethylamino)cyclohexyl]propanenitrile?
The canonical SMILES for 3-[4-(dimethylamino)cyclohexyl]propanenitrile is CN(C)C1CCC(CCC#N)CC1.
What is the InChIKey of 3-[4-(dimethylamino)cyclohexyl]propanenitrile?
The InChIKey is PCKNDBNFGLAMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-13(2)11-7-5-10(6-8-11)4-3-9-12/h10-11H,3-8H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)cyclohexyl]propanenitrile?
3-[4-(dimethylamino)cyclohexyl]propanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)cyclohexyl]propanenitrile is sourced from PubChem (CID 118178445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).