N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine

C12H28N2O — CID 62266935

IUPACN-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine
SMILESCCCC(C)CN(C)CCNCCOC
InChIInChI=1S/C12H28N2O/c1-5-6-12(2)11-14(3)9-7-13-8-10-15-4/h12-13H,5-11H2,1-4H3
InChIKeyPMBALLMMOISJGC-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.59
Rot. Bonds10

About N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine

N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine (PubChem CID 62266935) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine
PubChem CID62266935
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine
SMILESCCCC(C)CN(C)CCNCCOC
InChIInChI=1S/C12H28N2O/c1-5-6-12(2)11-14(3)9-7-13-8-10-15-4/h12-13H,5-11H2,1-4H3
InChIKeyPMBALLMMOISJGC-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
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-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 62559268
N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine
CID 62570404
N',N'-dimethyl-N-[2-(2-methylpentoxy)ethyl]ethane-1,2-diamine
CID 103285767
1-(2-methoxyethylamino)-3-[methyl(propyl)amino]propan-2-ol
CID 115474889
N'-ethyl-N-(2-methoxyethyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79482433
N-[3-[methyl(2-methylpentyl)amino]propyl]formamide
CID 123854882
N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 62574591
(4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine
CID 97035365
N'-(3-ethoxypropyl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 65175029
N'-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-N'-propylethane-1,2-diamine
CID 62574418
N-heptyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844812
N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 62603286

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine (CID 62266935) is N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine is CCCC(C)CN(C)CCNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine?
The InChIKey is PMBALLMMOISJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-6-12(2)11-14(3)9-7-13-8-10-15-4/h12-13H,5-11H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-methyl-N'-(2-methylpentyl)ethane-1,2-diamine is sourced from PubChem (CID 62266935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).