2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine

C14H30N2O — CID 81059328

IUPAC2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCCOCCN(C)C1CC(CC)CCC1NC
InChIInChI=1S/C14H30N2O/c1-5-12-7-8-13(15-3)14(11-12)16(4)9-10-17-6-2/h12-15H,5-11H2,1-4H3
InChIKeyOYOUAKXJRCELEK-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds7

About 2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine

2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 81059328) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
PubChem CID81059328
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
SMILESCCOCCN(C)C1CC(CC)CCC1NC
InChIInChI=1S/C14H30N2O/c1-5-12-7-8-13(15-3)14(11-12)16(4)9-10-17-6-2/h12-15H,5-11H2,1-4H3
InChIKeyOYOUAKXJRCELEK-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
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

4-ethyl-1-N,2-N-dimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1,2-diamine
CID 63233434
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 105414322
4-tert-butyl-2-N-(2-ethoxyethyl)-2-N-methyl-1-N-propylcyclohexane-1,2-diamine
CID 81035410
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine
CID 63697025
1-N,2-N-dimethyl-4-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1,2-diamine
CID 63206871
2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine
CID 61427073
2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine
CID 63697377
2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 81061768
trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 102734882
ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine
CID 176920815
4-tert-butyl-2-[2-ethoxyethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 81056596
4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 63467911

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine (CID 81059328) is 2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine is CCOCCN(C)C1CC(CC)CCC1NC.
What is the InChIKey of 2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine?
The InChIKey is OYOUAKXJRCELEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-12-7-8-13(15-3)14(11-12)16(4)9-10-17-6-2/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine?
2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 81059328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).