1-[2-[(4-methylcyclohexyl)methoxy]ethyl]-4-(2-methylpropyl)triazole

C16H29N3O — CID 121297988

IUPAC1-[2-[(4-methylcyclohexyl)methoxy]ethyl]-4-(2-methylpropyl)triazole
SMILESCC(C)Cc1cn(CCOCC2CCC(C)CC2)nn1
InChIInChI=1S/C16H29N3O/c1-13(2)10-16-11-19(18-17-16)8-9-20-12-15-6-4-14(3)5-7-15/h11,13-15H,4-10,12H2,1-3H3
InChIKeyJVPAXZXDDRVZRP-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.32
Rot. Bonds7

About 1-[2-[(4-methylcyclohexyl)methoxy]ethyl]-4-(2-methylpropyl)triazole

1-[2-[(4-methylcyclohexyl)methoxy]ethyl]-4-(2-methylpropyl)triazole (PubChem CID 121297988) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[2-[(4-methylcyclohexyl)methoxy]ethyl]-4-(2-methylpropyl)triazole.

Molecular Properties

Compound Name1-[2-[(4-methylcyclohexyl)methoxy]ethyl]-4-(2-methylpropyl)triazole
PubChem CID121297988
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-[2-[(4-methylcyclohexyl)methoxy]ethyl]-4-(2-methylpropyl)triazole
SMILESCC(C)Cc1cn(CCOCC2CCC(C)CC2)nn1
InChIInChI=1S/C16H29N3O/c1-13(2)10-16-11-19(18-17-16)8-9-20-12-15-6-4-14(3)5-7-15/h11,13-15H,4-10,12H2,1-3H3
InChIKeyJVPAXZXDDRVZRP-UHFFFAOYSA-N
XLogP3.32
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-cyclohex-3-en-1-yl-1-(2-propoxyethyl)-1H-1,2,3-triazole
CID 56717054
4-[3-[4-(Cyclohexylmethyl)triazol-1-yl]propyl]morpholine
CID 51354588
3-[2-Fluoro-2-methyl-3-(1-methyltriazol-4-yl)propyl]morpholine
CID 113911733
4-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1-(2-isopropoxyethyl)-1H-1,2,3-triazole
CID 70766569
2-(4-Cyclohexyltriazol-1-yl)ethanol
CID 57222357
4-(6-Methylheptyl)-1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]triazole
CID 58313374
4-[6-(3,3-Dimethylbutoxy)-3-methylidenehexyl]-1-[2-(5,5-dimethyl-4-methylidenehexoxy)ethyl]triazole
CID 58408548
1-[2-(5,5-Dimethyl-4-methylidenehexoxy)ethyl]-4-[6-(2,2-dimethylpropoxy)-3-methylidenehexyl]triazole
CID 58408791
4-(3,3-Dimethylbutyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole
CID 59571871
4-(9-Ethoxynonyl)-1-methyltriazole
CID 91364868
4-(2-Methylpropyl)-1-(2-propoxyethyl)triazole
CID 118041077
4-(2-Methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole
CID 118041103

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylcyclohexyl)methoxy]ethyl]-4-(2-methylpropyl)triazole?
The IUPAC name of 1-[2-[(4-methylcyclohexyl)methoxy]ethyl]-4-(2-methylpropyl)triazole (CID 121297988) is 1-[2-[(4-methylcyclohexyl)methoxy]ethyl]-4-(2-methylpropyl)triazole.
What is the SMILES notation for 1-[2-[(4-methylcyclohexyl)methoxy]ethyl]-4-(2-methylpropyl)triazole?
The canonical SMILES for 1-[2-[(4-methylcyclohexyl)methoxy]ethyl]-4-(2-methylpropyl)triazole is CC(C)Cc1cn(CCOCC2CCC(C)CC2)nn1.
What is the InChIKey of 1-[2-[(4-methylcyclohexyl)methoxy]ethyl]-4-(2-methylpropyl)triazole?
The InChIKey is JVPAXZXDDRVZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13(2)10-16-11-19(18-17-16)8-9-20-12-15-6-4-14(3)5-7-15/h11,13-15H,4-10,12H2,1-3H3.
What are the key properties of 1-[2-[(4-methylcyclohexyl)methoxy]ethyl]-4-(2-methylpropyl)triazole?
1-[2-[(4-methylcyclohexyl)methoxy]ethyl]-4-(2-methylpropyl)triazole has a molecular weight of 279.43 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylcyclohexyl)methoxy]ethyl]-4-(2-methylpropyl)triazole is sourced from PubChem (CID 121297988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).