3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine

C9H18N4O — CID 62757060

IUPAC3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCOCC(C)CNCc1cn(C)nn1
InChIInChI=1S/C9H18N4O/c1-8(7-14-3)4-10-5-9-6-13(2)12-11-9/h6,8,10H,4-5,7H2,1-3H3
InChIKeyZQWQHMCKKPCYGA-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.19
Rot. Bonds6

About 3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine

3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 62757060) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
PubChem CID62757060
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCOCC(C)CNCc1cn(C)nn1
InChIInChI=1S/C9H18N4O/c1-8(7-14-3)4-10-5-9-6-13(2)12-11-9/h6,8,10H,4-5,7H2,1-3H3
InChIKeyZQWQHMCKKPCYGA-UHFFFAOYSA-N
XLogP0.19
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol
CID 66176969
2-chloro-N-[(1-methyltriazol-4-yl)methyl]butan-1-amine
CID 107054191
3-chloro-N-[(1-methyltriazol-4-yl)methyl]butan-1-amine
CID 107054038
N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 55113610
3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine
CID 62757749
N-methoxy-1-(1-methyltriazol-4-yl)methanamine
CID 82707197
3-methoxy-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 115710591
2-(2-chloroethyl)-N-[(1-methyltriazol-4-yl)methyl]pentan-1-amine
CID 106117057
N-[[1-[2-(3-methoxypropoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 55073341
N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine
CID 103527647
4-(1-methoxyethoxymethyl)-1-methyltriazole
CID 174763188
2-methyl-N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449803

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine (CID 62757060) is 3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine is COCC(C)CNCc1cn(C)nn1.
What is the InChIKey of 3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is ZQWQHMCKKPCYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-8(7-14-3)4-10-5-9-6-13(2)12-11-9/h6,8,10H,4-5,7H2,1-3H3.
What are the key properties of 3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine?
3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 198.27 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 62757060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).