2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine

C11H26N2O — CID 79814662

IUPAC2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine
SMILESCCC(N)(CC)CN(C)CCCOC
InChIInChI=1S/C11H26N2O/c1-5-11(12,6-2)10-13(3)8-7-9-14-4/h5-10,12H2,1-4H3
InChIKeyGULXMZXHBJUVKR-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.47
Rot. Bonds8

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

2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine (PubChem CID 79814662) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine
PubChem CID79814662
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine
SMILESCCC(N)(CC)CN(C)CCCOC
InChIInChI=1S/C11H26N2O/c1-5-11(12,6-2)10-13(3)8-7-9-14-4/h5-10,12H2,1-4H3
InChIKeyGULXMZXHBJUVKR-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.47
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,2,2-triethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63009363
N-(3-methoxypropyl)-N-methylpentan-1-amine
CID 143723134
3-ethyl-7-methoxyheptan-3-amine
CID 104650482
3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 63008833
2-amino-2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]propanamide
CID 63925804
1-N-(2-methoxyethyl)-1-N,2-dimethylpentane-1,2-diamine
CID 61428179
3-ethyl-1-(3-methoxypropoxy)pentan-3-amine
CID 103184740
2-amino-3-[3-methoxypropyl(methyl)amino]propanenitrile
CID 63010066
4-methoxy-N-(2-methoxyethyl)-N-methylbutan-1-amine
CID 143607553
4-[3-methoxypropyl(methyl)amino]butanethioamide
CID 62986050
3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol
CID 106811269
N-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 115756980

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine (CID 79814662) is 2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine is CCC(N)(CC)CN(C)CCCOC.
What is the InChIKey of 2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine?
The InChIKey is GULXMZXHBJUVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-11(12,6-2)10-13(3)8-7-9-14-4/h5-10,12H2,1-4H3.
What are the key properties of 2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine?
2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 79814662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).