2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine

C11H26N2O3 — CID 81058494

IUPAC2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
SMILESCCOCCN(C)C(CN)CC(OC)OC
InChIInChI=1S/C11H26N2O3/c1-5-16-7-6-13(2)10(9-12)8-11(14-3)15-4/h10-11H,5-9,12H2,1-4H3
InChIKeyAMJZFEYSVNPAKL-UHFFFAOYSA-N
MW234.34 g/mol
LogP0.29
Rot. Bonds10

About 2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine

2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine (PubChem CID 81058494) has the molecular formula C11H26N2O3 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
PubChem CID81058494
Molecular FormulaC11H26N2O3
Molecular Weight234.34 g/mol
Exact Mass234.19
IUPAC Name2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
SMILESCCOCCN(C)C(CN)CC(OC)OC
InChIInChI=1S/C11H26N2O3/c1-5-16-7-6-13(2)10(9-12)8-11(14-3)15-4/h10-11H,5-9,12H2,1-4H3
InChIKeyAMJZFEYSVNPAKL-UHFFFAOYSA-N
XLogP0.29
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
CID 66268420
2-N-[3-(dimethylamino)propyl]-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
CID 66268623
4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide
CID 81059610
4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine
CID 66268815
4,4-dimethoxy-2-N-methyl-2-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79475548
4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine
CID 66268426
4,4-dimethoxy-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 66268814
1-cyclobutyl-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 81058894
3-amino-N-(2-ethoxyethyl)-2-methoxy-N-methylpropanamide
CID 106113210
3-amino-2-[2-methoxyethyl(methyl)amino]propan-1-ol
CID 104710884
1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227020
2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine
CID 66270133

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine (CID 81058494) is 2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine is CCOCCN(C)C(CN)CC(OC)OC.
What is the InChIKey of 2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine?
The InChIKey is AMJZFEYSVNPAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3/c1-5-16-7-6-13(2)10(9-12)8-11(14-3)15-4/h10-11H,5-9,12H2,1-4H3.
What are the key properties of 2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine?
2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 0.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-4,4-dimethoxy-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 81058494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).