N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine

C16H36N2O — CID 63690537

IUPACN-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)C)CN(CC)CCOCC
InChIInChI=1S/C16H36N2O/c1-7-10-16(6,13-17-15(4)5)14-18(8-2)11-12-19-9-3/h15,17H,7-14H2,1-6H3
InChIKeyRJFWGNPVXLHOQF-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.15
Rot. Bonds12

About N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine

N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine (PubChem CID 63690537) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
PubChem CID63690537
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC(C)C)CN(CC)CCOCC
InChIInChI=1S/C16H36N2O/c1-7-10-16(6,13-17-15(4)5)14-18(8-2)11-12-19-9-3/h15,17H,7-14H2,1-6H3
InChIKeyRJFWGNPVXLHOQF-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.15
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

N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 63483431
N-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine
CID 62259971
1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine
CID 66453452
2-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 62725026
4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine
CID 62726303
2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol
CID 62256428
N-(2-ethoxyethyl)-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 81075032
N-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 55226146
1-N-(2-ethoxyethyl)-1-N,2-N-diethylpropane-1,2-diamine
CID 63697376
N-(2-ethoxyethyl)-N,N'-diethyl-2,2-dimethylpropane-1,3-diamine
CID 63692665
2-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)pentan-1-amine
CID 62723212
2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol
CID 55051933

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine (CID 63690537) is N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine is CCCC(C)(CNC(C)C)CN(CC)CCOCC.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The InChIKey is RJFWGNPVXLHOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-7-10-16(6,13-17-15(4)5)14-18(8-2)11-12-19-9-3/h15,17H,7-14H2,1-6H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine?
N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine has a molecular weight of 272.48 g/mol, XLogP of 3.15, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 63690537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).