5-(dicyclohexylamino)-2,2-dimethylpentanenitrile

C19H34N2 — CID 65257781

IUPAC5-(dicyclohexylamino)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H34N2/c1-19(2,16-20)14-9-15-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h17-18H,3-15H2,1-2H3
InChIKeyWMPPKOWUHLKEMV-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.28
Rot. Bonds6

About 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile

5-(dicyclohexylamino)-2,2-dimethylpentanenitrile (PubChem CID 65257781) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(dicyclohexylamino)-2,2-dimethylpentanenitrile
PubChem CID65257781
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name5-(dicyclohexylamino)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H34N2/c1-19(2,16-20)14-9-15-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h17-18H,3-15H2,1-2H3
InChIKeyWMPPKOWUHLKEMV-UHFFFAOYSA-N
XLogP5.28
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile (CID 65257781) is 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile?
The InChIKey is WMPPKOWUHLKEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-19(2,16-20)14-9-15-21(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h17-18H,3-15H2,1-2H3.
What are the key properties of 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile?
5-(dicyclohexylamino)-2,2-dimethylpentanenitrile has a molecular weight of 290.49 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dicyclohexylamino)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65257781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).