2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine

C17H36N2O — CID 63696132

IUPAC2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
SMILESCCCNC1CCCCCCC1N(CC)CCOCC
InChIInChI=1S/C17H36N2O/c1-4-13-18-16-11-9-7-8-10-12-17(16)19(5-2)14-15-20-6-3/h16-18H,4-15H2,1-3H3
InChIKeyXGMRBHIHMZCFGC-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.44
Rot. Bonds9

About 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine

2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine (PubChem CID 63696132) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
PubChem CID63696132
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
SMILESCCCNC1CCCCCCC1N(CC)CCOCC
InChIInChI=1S/C17H36N2O/c1-4-13-18-16-11-9-7-8-10-12-17(16)19(5-2)14-15-20-6-3/h16-18H,4-15H2,1-3H3
InChIKeyXGMRBHIHMZCFGC-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.44
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-methylcyclooctane-1,2-diamine
CID 63697025
1-N-butyl-1-N-ethyl-2-N-propylcycloheptane-1,2-diamine
CID 63466762
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 102992452
2-N-ethyl-2-N-(2-methylpropyl)-1-N-propylcyclooctane-1,2-diamine
CID 63467359
2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
CID 107397961
2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile
CID 55226719
2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 82939975
2-N-(2-ethoxyethyl)-1-N,2-N-diethyl-4-propylcyclohexane-1,2-diamine
CID 63697377
1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine
CID 62985177
2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine
CID 65180373
1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine
CID 79828381
2-N-propan-2-yl-1-N,2-N-dipropylcyclooctane-1,2-diamine
CID 55194189

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine (CID 63696132) is 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine is CCCNC1CCCCCCC1N(CC)CCOCC.
What is the InChIKey of 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine?
The InChIKey is XGMRBHIHMZCFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-4-13-18-16-11-9-7-8-10-12-17(16)19(5-2)14-15-20-6-3/h16-18H,4-15H2,1-3H3.
What are the key properties of 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine?
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine has a molecular weight of 284.49 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine is sourced from PubChem (CID 63696132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).