2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile

C14H26N2O — CID 55226719

IUPAC2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile
SMILESCCOCCN(CC)C1CCCCCC1C#N
InChIInChI=1S/C14H26N2O/c1-3-16(10-11-17-4-2)14-9-7-5-6-8-13(14)12-15/h13-14H,3-11H2,1-2H3
InChIKeyICFFEOBRFVEOKS-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.82
Rot. Bonds6

About 2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile

2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile (PubChem CID 55226719) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile
PubChem CID55226719
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile
SMILESCCOCCN(CC)C1CCCCCC1C#N
InChIInChI=1S/C14H26N2O/c1-3-16(10-11-17-4-2)14-9-7-5-6-8-13(14)12-15/h13-14H,3-11H2,1-2H3
InChIKeyICFFEOBRFVEOKS-UHFFFAOYSA-N
XLogP2.82
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine
CID 63697025
2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile
CID 63956187
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 63696132
2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide
CID 61451215
2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile
CID 55000052
2-(dimethylamino)cycloheptane-1-carbonitrile
CID 43291764
2-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclohexan-1-amine
CID 82965659
1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine
CID 79828381
2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide
CID 54946712
4-tert-butyl-2-[2-ethoxyethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 81056596
2-[cyclopropyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 43291906
3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol
CID 165498158

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile?
The IUPAC name of 2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile (CID 55226719) is 2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile?
The canonical SMILES for 2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile is CCOCCN(CC)C1CCCCCC1C#N.
What is the InChIKey of 2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile?
The InChIKey is ICFFEOBRFVEOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-16(10-11-17-4-2)14-9-7-5-6-8-13(14)12-15/h13-14H,3-11H2,1-2H3.
What are the key properties of 2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile?
2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile has a molecular weight of 238.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile is sourced from PubChem (CID 55226719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).