N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine

C9H22N2O — CID 58803335

IUPACN'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCOCCN(CC)CCNC
InChIInChI=1S/C9H22N2O/c1-4-11(7-6-10-3)8-9-12-5-2/h10H,4-9H2,1-3H3
InChIKeyBFRKCYCYMQFLJR-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.56
Rot. Bonds8

About N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine

N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine (PubChem CID 58803335) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
PubChem CID58803335
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC NameN'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
SMILESCCOCCN(CC)CCNC
InChIInChI=1S/C9H22N2O/c1-4-11(7-6-10-3)8-9-12-5-2/h10H,4-9H2,1-3H3
InChIKeyBFRKCYCYMQFLJR-UHFFFAOYSA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.56
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'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
N'-(2-ethoxyethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine
CID 63692336
N'-(2-ethoxyethyl)-N'-ethyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 63692867
2-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]-N-methylethanamine
CID 174152104
N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
CID 142226092
N-cycloheptyl-N'-(2-ethoxyethyl)-N'-ethylethane-1,2-diamine
CID 63690919
N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63691083
N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63692696
N'-(2-butoxyethyl)-N'-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-N-methylhexane-1,6-diamine
CID 174152095
3,3-diethoxy-N-(2-ethoxyethyl)-N-ethylpropan-1-amine
CID 63698274
2-ethoxy-N-ethyl-N-[2-[2-(methylaminomethyl)phenoxy]ethyl]ethanamine
CID 63691253

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine (CID 58803335) is N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine is CCOCCN(CC)CCNC.
What is the InChIKey of N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine?
The InChIKey is BFRKCYCYMQFLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-4-11(7-6-10-3)8-9-12-5-2/h10H,4-9H2,1-3H3.
What are the key properties of N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine?
N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine has a molecular weight of 174.29 g/mol, XLogP of 0.56, 8 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-N-methylethane-1,2-diamine is sourced from PubChem (CID 58803335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).