N-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine

C14H32N2O — CID 55226146

IUPACN-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(C)CN(CC)CCOCC
InChIInChI=1S/C14H32N2O/c1-6-9-15-12-14(4,5)13-16(7-2)10-11-17-8-3/h15H,6-13H2,1-5H3
InChIKeyLSKIZFQUMLPDCA-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.37
Rot. Bonds11

About N-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine

N-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 55226146) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID55226146
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(C)CN(CC)CCOCC
InChIInChI=1S/C14H32N2O/c1-6-9-15-12-14(4,5)13-16(7-2)10-11-17-8-3/h15H,6-13H2,1-5H3
InChIKeyLSKIZFQUMLPDCA-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.37
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-(2-ethoxyethyl)-N,N'-diethyl-2,2-dimethylpropane-1,3-diamine
CID 63692665
1-[[2,2-dimethyl-3-(propylamino)propyl]-ethylamino]-2-methylpropan-2-ol
CID 79377227
2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62257945
N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 63692867
4-ethoxy-N,N-diethyl-2,2-dimethylbutan-1-amine
CID 160537822
N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 63691778
N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 65176530
N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 63690537
1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine
CID 66453452
N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 63690912
N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 58803335
N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine
CID 55225955

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 55226146) is N-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCNCC(C)(C)CN(CC)CCOCC.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is LSKIZFQUMLPDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-6-9-15-12-14(4,5)13-16(7-2)10-11-17-8-3/h15H,6-13H2,1-5H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N-(2-ethoxyethyl)-N-ethyl-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.37, 11 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-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 55226146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).