N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine

C12H28N2O — CID 62554689

IUPACN'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)NCCN(C)C(C)COC
InChIInChI=1S/C12H28N2O/c1-7-12(3,4)13-8-9-14(5)11(2)10-15-6/h11,13H,7-10H2,1-6H3
InChIKeyOIGNPSDEAGUNDJ-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds8

About N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine

N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 62554689) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID62554689
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)NCCN(C)C(C)COC
InChIInChI=1S/C12H28N2O/c1-7-12(3,4)13-8-9-14(5)11(2)10-15-6/h11,13H,7-10H2,1-6H3
InChIKeyOIGNPSDEAGUNDJ-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Analyze N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine
CID 62568783
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine
CID 62569145
N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62555171
N-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62554848
2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62558337
N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61453398
N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine
CID 65296234
1-N-(1-methoxypropan-2-yl)-1-N,4,4-trimethylpentane-1,3-diamine
CID 62624086
2-N-(2-methoxyethyl)-1-N-(2-methylbutan-2-yl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 62568016
N-cycloheptyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62573668
N-ethyl-1-methoxy-N-methylpropan-2-amine
CID 142890650
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112666053

Frequently Asked Questions

What is the IUPAC name of N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (CID 62554689) is N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is CCC(C)(C)NCCN(C)C(C)COC.
What is the InChIKey of N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is OIGNPSDEAGUNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-7-12(3,4)13-8-9-14(5)11(2)10-15-6/h11,13H,7-10H2,1-6H3.
What are the key properties of N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62554689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).