N-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine

C13H30N2O — CID 115756980

IUPACN-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
SMILESCCC(CC)CNCCN(C)CCCOC
InChIInChI=1S/C13H30N2O/c1-5-13(6-2)12-14-8-10-15(3)9-7-11-16-4/h13-14H,5-12H2,1-4H3
InChIKeyWHPJHKUWHRYEET-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.98
Rot. Bonds11

About N-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine

N-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine (PubChem CID 115756980) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
PubChem CID115756980
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
SMILESCCC(CC)CNCCN(C)CCCOC
InChIInChI=1S/C13H30N2O/c1-5-13(6-2)12-14-8-10-15(3)9-7-11-16-4/h13-14H,5-12H2,1-4H3
InChIKeyWHPJHKUWHRYEET-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.98
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-[3-methoxypropyl(methyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63007801
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62448029
N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65175029
2-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
CID 28720680
N'-(3-ethoxypropyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 65175588
1-[3-methoxypropyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 62983589
N'-ethyl-N-(4-methoxybutyl)-N'-methylethane-1,2-diamine
CID 104647419
N-(3-methoxypropyl)-N-methylpentan-1-amine
CID 143723134
N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855
1-(2-ethylbutyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111891254
2-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 62718813
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine (CID 115756980) is N-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine is CCC(CC)CNCCN(C)CCCOC.
What is the InChIKey of N-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
The InChIKey is WHPJHKUWHRYEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-5-13(6-2)12-14-8-10-15(3)9-7-11-16-4/h13-14H,5-12H2,1-4H3.
What are the key properties of N-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine?
N-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.98, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115756980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).