5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine

C11H22N4O — CID 107064246

IUPAC5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine
SMILESCNC(CCC(C)OC)Cc1cn(C)nn1
InChIInChI=1S/C11H22N4O/c1-9(16-4)5-6-10(12-2)7-11-8-15(3)14-13-11/h8-10,12H,5-7H2,1-4H3
InChIKeyJHQBZAVBUNWDMZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.76
Rot. Bonds7

About 5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine

5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine (PubChem CID 107064246) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine
PubChem CID107064246
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine
SMILESCNC(CCC(C)OC)Cc1cn(C)nn1
InChIInChI=1S/C11H22N4O/c1-9(16-4)5-6-10(12-2)7-11-8-15(3)14-13-11/h8-10,12H,5-7H2,1-4H3
InChIKeyJHQBZAVBUNWDMZ-UHFFFAOYSA-N
XLogP0.76
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine 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-methyl-1-(1-methyltriazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 107064582
5-ethoxy-N-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
CID 107063863
4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063943
4-(2,2-difluoroethoxy)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107051436
4,4,4-trifluoro-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107048753
N-methyl-1-(1-methyltriazol-4-yl)-3-propoxypropan-2-amine
CID 107048866
1-(2-methoxyphenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048713
5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine
CID 107048801
[1-(1-methyltriazol-4-yl)-3-propan-2-yloxypropan-2-yl]hydrazine
CID 107066743
4-(1-methoxyethoxymethyl)-1-methyltriazole
CID 174763188
1-(3-fluorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107048702
1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107064626

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine?
The IUPAC name of 5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine (CID 107064246) is 5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine.
What is the SMILES notation for 5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine?
The canonical SMILES for 5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine is CNC(CCC(C)OC)Cc1cn(C)nn1.
What is the InChIKey of 5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine?
The InChIKey is JHQBZAVBUNWDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-9(16-4)5-6-10(12-2)7-11-8-15(3)14-13-11/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine?
5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine has a molecular weight of 226.32 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-1-(1-methyltriazol-4-yl)hexan-2-amine is sourced from PubChem (CID 107064246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).