N'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine

C12H28N2O — CID 81068490

IUPACN'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCOCCN(C)CCNC(C)C(C)C
InChIInChI=1S/C12H28N2O/c1-6-15-10-9-14(5)8-7-13-12(4)11(2)3/h11-13H,6-10H2,1-5H3
InChIKeyBRIJYXQCCADWSY-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.59
Rot. Bonds9

About N'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine

N'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 81068490) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID81068490
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCOCCN(C)CCNC(C)C(C)C
InChIInChI=1S/C12H28N2O/c1-6-15-10-9-14(5)8-7-13-12(4)11(2)3/h11-13H,6-10H2,1-5H3
InChIKeyBRIJYXQCCADWSY-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.59
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-(dimethylamino)ethyl]-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 63725314
N-(dicyclopropylmethyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 81067870
N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine
CID 115709397
1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 81058530
N-(cyclopropylmethyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 81055453
3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072
N'-(3-ethoxypropyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 65175588
N'-(2-ethoxyethyl)-N-ethyl-N'-methylbutane-1,4-diamine
CID 81068457
N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62561624
5-[2-ethoxyethyl(methyl)amino]-3-methylpentane-1-thiol
CID 81063902
4-[2-ethoxyethyl(methyl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 81064401
3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile
CID 81061726

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine (CID 81068490) is N'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine is CCOCCN(C)CCNC(C)C(C)C.
What is the InChIKey of N'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is BRIJYXQCCADWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-15-10-9-14(5)8-7-13-12(4)11(2)3/h11-13H,6-10H2,1-5H3.
What are the key properties of N'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine?
N'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 81068490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).