N'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine

C12H28N2O — CID 103034042

IUPACN'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine
SMILESCCCCN(CCN)CCC(C)(C)OC
InChIInChI=1S/C12H28N2O/c1-5-6-9-14(11-8-13)10-7-12(2,3)15-4/h5-11,13H2,1-4H3
InChIKeyJQKAMNZQXGKPEB-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.86
Rot. Bonds9

About N'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine

N'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine (PubChem CID 103034042) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine
PubChem CID103034042
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine
SMILESCCCCN(CCN)CCC(C)(C)OC
InChIInChI=1S/C12H28N2O/c1-5-6-9-14(11-8-13)10-7-12(2,3)15-4/h5-11,13H2,1-4H3
InChIKeyJQKAMNZQXGKPEB-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-butyl-N'-(3-methoxy-3-methylbutyl)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

N'-(2-aminoethyl)-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine
CID 103034073
N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine
CID 62923108
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
N-[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]-N-tetradecyltetradecan-1-amine
CID 167283849
4-(dibutylamino)-2-methylbutan-2-ol
CID 79361308
2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine
CID 103033017
N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
CID 65296059
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
5-(dibutylamino)-2-methylpentan-2-ol
CID 18944366
N'-[3-[3-aminopropyl(octadecyl)amino]propyl]-N'-butylpropane-1,3-diamine;N'-butyl-N'-dodecylpropane-1,3-diamine
CID 162265791

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine (CID 103034042) is N'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine is CCCCN(CCN)CCC(C)(C)OC.
What is the InChIKey of N'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine?
The InChIKey is JQKAMNZQXGKPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-6-9-14(11-8-13)10-7-12(2,3)15-4/h5-11,13H2,1-4H3.
What are the key properties of N'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine?
N'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-(3-methoxy-3-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 103034042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).