N'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine

C12H28N2O — CID 170267583

IUPACN'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine
SMILESCCCC(C)(CCN(C)CCNC)OC
InChIInChI=1S/C12H28N2O/c1-6-7-12(2,15-5)8-10-14(4)11-9-13-3/h13H,6-11H2,1-5H3
InChIKeyCTPSYZORIOPOAH-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.73
Rot. Bonds9

About N'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine

N'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 170267583) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is N'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID170267583
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC NameN'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine
SMILESCCCC(C)(CCN(C)CCNC)OC
InChIInChI=1S/C12H28N2O/c1-6-7-12(2,15-5)8-10-14(4)11-9-13-3/h13H,6-11H2,1-5H3
InChIKeyCTPSYZORIOPOAH-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine (CID 170267583) is N'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine is CCCC(C)(CCN(C)CCNC)OC.
What is the InChIKey of N'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is CTPSYZORIOPOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-6-7-12(2,15-5)8-10-14(4)11-9-13-3/h13H,6-11H2,1-5H3.
What are the key properties of N'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine?
N'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 170267583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).