N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine

C15H28N4 — CID 75444884

IUPACN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine
SMILESCCn1c(C)nnc1CNC(C)C1CCCC(C)C1
InChIInChI=1S/C15H28N4/c1-5-19-13(4)17-18-15(19)10-16-12(3)14-8-6-7-11(2)9-14/h11-12,14,16H,5-10H2,1-4H3
InChIKeyUGDJMGGLEZTWIH-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.91
Rot. Bonds5

About N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine

N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine (PubChem CID 75444884) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine
PubChem CID75444884
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine
SMILESCCn1c(C)nnc1CNC(C)C1CCCC(C)C1
InChIInChI=1S/C15H28N4/c1-5-19-13(4)17-18-15(19)10-16-12(3)14-8-6-7-11(2)9-14/h11-12,14,16H,5-10H2,1-4H3
InChIKeyUGDJMGGLEZTWIH-UHFFFAOYSA-N
XLogP2.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine?
The IUPAC name of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine (CID 75444884) is N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine.
What is the SMILES notation for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine?
The canonical SMILES for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine is CCn1c(C)nnc1CNC(C)C1CCCC(C)C1.
What is the InChIKey of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine?
The InChIKey is UGDJMGGLEZTWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-19-13(4)17-18-15(19)10-16-12(3)14-8-6-7-11(2)9-14/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine?
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine has a molecular weight of 264.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 75444884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).