1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine

C8H21N3O — CID 12551193

IUPAC1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine
SMILESCOC(N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C8H21N3O/c1-9(2)8(12-7,10(3)4)11(5)6/h1-7H3
InChIKeyDUTKSBLKSZZOCH-UHFFFAOYSA-N
MW175.28 g/mol
LogP-0.07
Rot. Bonds4

About 1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine

1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine (PubChem CID 12551193) has the molecular formula C8H21N3O and a molecular weight of 175.28 g/mol. Its IUPAC name is 1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine.

Molecular Properties

Compound Name1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine
PubChem CID12551193
Molecular FormulaC8H21N3O
Molecular Weight175.28 g/mol
Exact Mass175.17
IUPAC Name1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine
SMILESCOC(N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C8H21N3O/c1-9(2)8(12-7,10(3)4)11(5)6/h1-7H3
InChIKeyDUTKSBLKSZZOCH-UHFFFAOYSA-N
XLogP-0.07
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-1-N',1-N'-dimethylethane-1,1-diamine
CID 174943740
[2-(dimethylamino)-2,2-dimethoxyethyl]-trimethylazanium
CID 12902130
1-(1,1-dimethoxyethylsulfanyl)-1,1-dimethoxyethane
CID 86617054
bis[tris(dimethylamino)methoxyphosphanyl] sulfate
CID 141154520
2-(dimethylamino)-2-methoxy-2-(methylamino)acetic acid
CID 154443929
2-methoxy-2-methylpropane;hydrate
CID 23212559
hydron;2-methoxy-2-methylpropane
CID 174107716
zinc bis(tetramethoxyboranuide)
CID 21447468
N,N,2-trimethylpropan-2-amine;hydrobromide
CID 175344669
N-(1,1-dimethoxyethyl)-N-methylformamide
CID 88676160
2-methoxy-N-methyl-N-[methyl(oxido)amino]oxypropan-2-amine
CID 163495645
N-chloro-2-methoxy-N,2-dimethylpropan-1-amine
CID 152926276

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine?
The IUPAC name of 1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine (CID 12551193) is 1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine.
What is the SMILES notation for 1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine?
The canonical SMILES for 1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine is COC(N(C)C)(N(C)C)N(C)C.
What is the InChIKey of 1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine?
The InChIKey is DUTKSBLKSZZOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O/c1-9(2)8(12-7,10(3)4)11(5)6/h1-7H3.
What are the key properties of 1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine?
1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine has a molecular weight of 175.28 g/mol, XLogP of -0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,N,N',N',N",N"-hexamethylmethanetriamine is sourced from PubChem (CID 12551193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).