2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine

C12H22N4O — CID 43783926

IUPAC2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)c1nncn1C
InChIInChI=1S/C12H22N4O/c1-9(12-15-13-8-16(12)2)14-10-6-4-5-7-11(10)17-3/h8-11,14H,4-7H2,1-3H3
InChIKeyUBFGCGFLPPLOJZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.42
Rot. Bonds4

About 2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine

2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 43783926) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
PubChem CID43783926
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)c1nncn1C
InChIInChI=1S/C12H22N4O/c1-9(12-15-13-8-16(12)2)14-10-6-4-5-7-11(10)17-3/h8-11,14H,4-7H2,1-3H3
InChIKeyUBFGCGFLPPLOJZ-UHFFFAOYSA-N
XLogP1.42
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine (CID 43783926) is 2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine is COC1CCCCC1NC(C)c1nncn1C.
What is the InChIKey of 2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is UBFGCGFLPPLOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(12-15-13-8-16(12)2)14-10-6-4-5-7-11(10)17-3/h8-11,14H,4-7H2,1-3H3.
What are the key properties of 2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 43783926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).