2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine

C11H26N2O2 — CID 107505693

IUPAC2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine
SMILESCCNC(COC)CN(C)CCCOC
InChIInChI=1S/C11H26N2O2/c1-5-12-11(10-15-4)9-13(2)7-6-8-14-3/h11-12H,5-10H2,1-4H3
InChIKeyANZZCBPHVNJGRX-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.58
Rot. Bonds10

About 2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine

2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine (PubChem CID 107505693) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine
PubChem CID107505693
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine
SMILESCCNC(COC)CN(C)CCCOC
InChIInChI=1S/C11H26N2O2/c1-5-12-11(10-15-4)9-13(2)7-6-8-14-3/h11-12H,5-10H2,1-4H3
InChIKeyANZZCBPHVNJGRX-UHFFFAOYSA-N
XLogP0.58
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 113448229
4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine
CID 62983591
2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine
CID 62040977
2-N-ethyl-3-methoxy-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 107505355
N-ethyl-1-(2-methoxyphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62985012
2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile
CID 63010066
2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 107505563
(2S)-1-N-(2-methoxyethyl)-1-N,2-N-dimethylbutane-1,2-diamine
CID 167207521
3-methoxy-1-N-methyl-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505365
N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62983603
N-(3-methoxypropyl)-N-methylpentan-1-amine
CID 143723134
1-[3-methoxypropyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 62983589

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine (CID 107505693) is 2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine is CCNC(COC)CN(C)CCCOC.
What is the InChIKey of 2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is ANZZCBPHVNJGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-5-12-11(10-15-4)9-13(2)7-6-8-14-3/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine?
2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 0.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 107505693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).