2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine

C17H36N2O — CID 63697377

IUPAC2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine
SMILESCCCC1CCC(NCC)C(N(CC)CCOCC)C1
InChIInChI=1S/C17H36N2O/c1-5-9-15-10-11-16(18-6-2)17(14-15)19(7-3)12-13-20-8-4/h15-18H,5-14H2,1-4H3
InChIKeyOFRSQILCLUFRFV-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds10

About 2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine

2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine (PubChem CID 63697377) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine
PubChem CID63697377
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine
SMILESCCCC1CCC(NCC)C(N(CC)CCOCC)C1
InChIInChI=1S/C17H36N2O/c1-5-9-15-10-11-16(18-6-2)17(14-15)19(7-3)12-13-20-8-4/h15-18H,5-14H2,1-4H3
InChIKeyOFRSQILCLUFRFV-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.29
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

2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 63696132
3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine
CID 79643445
2-N-ethyl-2-N-(2-methoxyethyl)-4-propylcyclohexane-1,2-diamine
CID 61448059
1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine
CID 79828381
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine
CID 63697025
2-(3-ethoxypropyl)-N,4-dipropylcyclohexan-1-amine
CID 65180818
N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
CID 103410736
2-N-(2-ethoxyethyl)-4-ethyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 81059328
2-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 55228468
N-ethyl-2-octoxy-4-propylcyclohexan-1-amine
CID 63474035
1-N,2-N,4-triethyl-2-N-(2-methylbutyl)cyclohexane-1,2-diamine
CID 79476839
2-[[2-(ethylamino)-5-propylcyclohexyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62610658

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine (CID 63697377) is 2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine is CCCC1CCC(NCC)C(N(CC)CCOCC)C1.
What is the InChIKey of 2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine?
The InChIKey is OFRSQILCLUFRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-9-15-10-11-16(18-6-2)17(14-15)19(7-3)12-13-20-8-4/h15-18H,5-14H2,1-4H3.
What are the key properties of 2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine?
2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 63697377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).