2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile

C16H30N2O — CID 106804826

IUPAC2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile
SMILESCCC1CCCC(OCCCC(C#N)(CC)NC)C1
InChIInChI=1S/C16H30N2O/c1-4-14-8-6-9-15(12-14)19-11-7-10-16(5-2,13-17)18-3/h14-15,18H,4-12H2,1-3H3
InChIKeyGOOBJAQWFFCNFA-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.64
Rot. Bonds8

About 2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile

2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile (PubChem CID 106804826) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile
PubChem CID106804826
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile
SMILESCCC1CCCC(OCCCC(C#N)(CC)NC)C1
InChIInChI=1S/C16H30N2O/c1-4-14-8-6-9-15(12-14)19-11-7-10-16(5-2,13-17)18-3/h14-15,18H,4-12H2,1-3H3
InChIKeyGOOBJAQWFFCNFA-UHFFFAOYSA-N
XLogP3.64
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,6-dimethyloxan-4-yl)oxy-2-ethyl-2-(methylamino)pentanenitrile
CID 106804922
1-amino-5-(3-ethylcyclohexyl)oxy-2-methylpentan-2-ol
CID 64813602
5-(3,5-dimethylcyclohexyl)oxy-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804829
5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804379
5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
CID 107400970
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804900
(3S)-1-ethoxy-3-ethylcyclohexane
CID 144585145
2-ethyl-2-(methylamino)-5-(2,2,3,3,3-pentafluoropropoxy)pentanenitrile
CID 106804865
2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanenitrile
CID 106804715
2-ethyl-2-(methylamino)-5-(2,3,5,6-tetrafluorophenoxy)pentanenitrile
CID 106804976
2-ethyl-2-(methylamino)-5-(2-methylpyrrolidin-1-yl)pentanenitrile
CID 106802754
2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile
CID 106804620

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile?
The IUPAC name of 2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile (CID 106804826) is 2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile.
What is the SMILES notation for 2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile?
The canonical SMILES for 2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile is CCC1CCCC(OCCCC(C#N)(CC)NC)C1.
What is the InChIKey of 2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile?
The InChIKey is GOOBJAQWFFCNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-14-8-6-9-15(12-14)19-11-7-10-16(5-2,13-17)18-3/h14-15,18H,4-12H2,1-3H3.
What are the key properties of 2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile?
2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile has a molecular weight of 266.43 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(3-ethylcyclohexyl)oxy-2-(methylamino)pentanenitrile is sourced from PubChem (CID 106804826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).