4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile

C14H26N2O — CID 64746746

IUPAC4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCOC1CCC(C)C(C)C1
InChIInChI=1S/C14H26N2O/c1-4-16-13(10-15)7-8-17-14-6-5-11(2)12(3)9-14/h11-14,16H,4-9H2,1-3H3
InChIKeyUXGFQAXJTJAMCR-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.72
Rot. Bonds6

About 4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile

4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile (PubChem CID 64746746) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile.

Molecular Properties

Compound Name4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile
PubChem CID64746746
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCOC1CCC(C)C(C)C1
InChIInChI=1S/C14H26N2O/c1-4-16-13(10-15)7-8-17-14-6-5-11(2)12(3)9-14/h11-14,16H,4-9H2,1-3H3
InChIKeyUXGFQAXJTJAMCR-UHFFFAOYSA-N
XLogP2.72
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile?
The IUPAC name of 4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile (CID 64746746) is 4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile.
What is the SMILES notation for 4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile?
The canonical SMILES for 4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile is CCNC(C#N)CCOC1CCC(C)C(C)C1.
What is the InChIKey of 4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile?
The InChIKey is UXGFQAXJTJAMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-16-13(10-15)7-8-17-14-6-5-11(2)12(3)9-14/h11-14,16H,4-9H2,1-3H3.
What are the key properties of 4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile?
4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile has a molecular weight of 238.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile is sourced from PubChem (CID 64746746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).