4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine

C12H28N2O — CID 62983591

IUPAC4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine
SMILESCCNC(C)CCCN(C)CCCOC
InChIInChI=1S/C12H28N2O/c1-5-13-12(2)8-6-9-14(3)10-7-11-15-4/h12-13H,5-11H2,1-4H3
InChIKeyZNXLBQZKGDOBQB-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds10

About 4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine

4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine (PubChem CID 62983591) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine
PubChem CID62983591
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine
SMILESCCNC(C)CCCN(C)CCCOC
InChIInChI=1S/C12H28N2O/c1-5-13-12(2)8-6-9-14(3)10-7-11-15-4/h12-13H,5-11H2,1-4H3
InChIKeyZNXLBQZKGDOBQB-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.73
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

1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 63693980
1-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 62984826
2-N-ethyl-3-methoxy-1-N-(3-methoxypropyl)-1-N-methylpropane-1,2-diamine
CID 107505693
4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine
CID 63207050
3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide
CID 63008042
N-(3-methoxypropyl)-N-methylpentan-1-amine
CID 143723134
N-ethyl-N'-(3-methoxypropyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 63009908
1-(2-bromophenyl)-N-ethyl-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63009011
2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine
CID 103152493
1-cyclohexyl-N-ethyl-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 113448229
N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855
N-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 115756980

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine?
The IUPAC name of 4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine (CID 62983591) is 4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine is CCNC(C)CCCN(C)CCCOC.
What is the InChIKey of 4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine?
The InChIKey is ZNXLBQZKGDOBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-13-12(2)8-6-9-14(3)10-7-11-15-4/h12-13H,5-11H2,1-4H3.
What are the key properties of 4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine?
4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine is sourced from PubChem (CID 62983591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).