N-methyl-1-[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine

C13H24N4O — CID 55073402

IUPACN-methyl-1-[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCOC2CCC(C)CC2)nn1
InChIInChI=1S/C13H24N4O/c1-11-3-5-13(6-4-11)18-8-7-17-10-12(9-14-2)15-16-17/h10-11,13-14H,3-9H2,1-2H3
InChIKeyLFPUIYYCJBWGKM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.59
Rot. Bonds6

About N-methyl-1-[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine

N-methyl-1-[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine (PubChem CID 55073402) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine
PubChem CID55073402
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-methyl-1-[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCOC2CCC(C)CC2)nn1
InChIInChI=1S/C13H24N4O/c1-11-3-5-13(6-4-11)18-8-7-17-10-12(9-14-2)15-16-17/h10-11,13-14H,3-9H2,1-2H3
InChIKeyLFPUIYYCJBWGKM-UHFFFAOYSA-N
XLogP1.59
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine (CID 55073402) is N-methyl-1-[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine is CNCc1cn(CCOC2CCC(C)CC2)nn1.
What is the InChIKey of N-methyl-1-[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine?
The InChIKey is LFPUIYYCJBWGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11-3-5-13(6-4-11)18-8-7-17-10-12(9-14-2)15-16-17/h10-11,13-14H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine?
N-methyl-1-[1-[2-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine has a molecular weight of 252.36 g/mol, XLogP of 1.59, 6 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-(4-methylcyclohexyl)oxyethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 55073402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).