N-methyl-1-[1-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazol-4-yl]methanamine

C16H32N4O — CID 167491209

IUPACN-methyl-1-[1-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CC(C)(C)CC(C)(C)OCC(C)C)nn1
InChIInChI=1S/C16H32N4O/c1-13(2)10-21-16(5,6)11-15(3,4)12-20-9-14(8-17-7)18-19-20/h9,13,17H,8,10-12H2,1-7H3
InChIKeyFXXOQKPKYMKENJ-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.87
Rot. Bonds9

About N-methyl-1-[1-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazol-4-yl]methanamine

N-methyl-1-[1-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazol-4-yl]methanamine (PubChem CID 167491209) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is N-methyl-1-[1-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazol-4-yl]methanamine
PubChem CID167491209
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC NameN-methyl-1-[1-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CC(C)(C)CC(C)(C)OCC(C)C)nn1
InChIInChI=1S/C16H32N4O/c1-13(2)10-21-16(5,6)11-15(3,4)12-20-9-14(8-17-7)18-19-20/h9,13,17H,8,10-12H2,1-7H3
InChIKeyFXXOQKPKYMKENJ-UHFFFAOYSA-N
XLogP2.87
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[1-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazol-4-yl]methanamine (CID 167491209) is N-methyl-1-[1-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazol-4-yl]methanamine is CNCc1cn(CC(C)(C)CC(C)(C)OCC(C)C)nn1.
What is the InChIKey of N-methyl-1-[1-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazol-4-yl]methanamine?
The InChIKey is FXXOQKPKYMKENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-13(2)10-21-16(5,6)11-15(3,4)12-20-9-14(8-17-7)18-19-20/h9,13,17H,8,10-12H2,1-7H3.
What are the key properties of N-methyl-1-[1-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazol-4-yl]methanamine?
N-methyl-1-[1-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazol-4-yl]methanamine has a molecular weight of 296.46 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]triazol-4-yl]methanamine is sourced from PubChem (CID 167491209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).