N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine

C12H28N2O — CID 146180747

IUPACN'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)C(C)(C)CC(C)(C)OC
InChIInChI=1S/C12H28N2O/c1-11(2,10-12(3,4)15-7)14(6)9-8-13-5/h13H,8-10H2,1-7H3
InChIKeyWYCFXEPBTNTQQU-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds7

About N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine

N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 146180747) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID146180747
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)C(C)(C)CC(C)(C)OC
InChIInChI=1S/C12H28N2O/c1-11(2,10-12(3,4)15-7)14(6)9-8-13-5/h13H,8-10H2,1-7H3
InChIKeyWYCFXEPBTNTQQU-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

2-N,3-N,2,3-tetramethyl-2-N-[2-(methylamino)ethyl]-3-N-propylbutane-2,3-diamine
CID 145011873
N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
CID 63964794
2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine
CID 106675732
N'-(2,2-dimethoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 66224074
2-N-(3-methoxy-3-methylbutyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103019955
3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine
CID 143118699
[methyl-[2-(methylamino)ethyl]amino] 2,2-dimethylpropanoate
CID 149093757
N-[2-(methylamino)ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 91320037
N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol
CID 176553145
N,N'-dimethyl-N'-phosphanylethane-1,2-diamine
CID 129067640
lithium;hydride;N,N',N'-trimethylethane-1,2-diamine
CID 173063979
propane;N,N',N'-trimethylethane-1,2-diamine
CID 176717346

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine (CID 146180747) is N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)C(C)(C)CC(C)(C)OC.
What is the InChIKey of N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is WYCFXEPBTNTQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(2,10-12(3,4)15-7)14(6)9-8-13-5/h13H,8-10H2,1-7H3.
What are the key properties of N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine?
N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 146180747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).