3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol

C15H28N4O — CID 66270873

IUPAC3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol
SMILESCC1CCCC(CCNCc2cn(CCCO)nn2)C1
InChIInChI=1S/C15H28N4O/c1-13-4-2-5-14(10-13)6-7-16-11-15-12-19(18-17-15)8-3-9-20/h12-14,16,20H,2-11H2,1H3
InChIKeySWICGFYRXWUZHZ-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.97
Rot. Bonds8

About 3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol

3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol (PubChem CID 66270873) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol
PubChem CID66270873
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol
SMILESCC1CCCC(CCNCc2cn(CCCO)nn2)C1
InChIInChI=1S/C15H28N4O/c1-13-4-2-5-14(10-13)6-7-16-11-15-12-19(18-17-15)8-3-9-20/h12-14,16,20H,2-11H2,1H3
InChIKeySWICGFYRXWUZHZ-UHFFFAOYSA-N
XLogP1.97
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(cyclobutylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268921
3-[4-[(2-aminoethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268362
3-[4-[(hexylamino)methyl]triazol-1-yl]propan-1-ol
CID 66270242
3-[4-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]triazol-1-yl]propan-1-ol
CID 66268914
3-[4-[(2-propan-2-yloxyethylamino)methyl]triazol-1-yl]propan-1-ol
CID 104759251
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
3-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]triazol-1-yl]propan-1-ol
CID 105415204
N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine
CID 66194675
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-methylacetamide
CID 66269111
methyl 2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]acetate
CID 66268145
3-[4-[[(4-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269103

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol (CID 66270873) is 3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol is CC1CCCC(CCNCc2cn(CCCO)nn2)C1.
What is the InChIKey of 3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol?
The InChIKey is SWICGFYRXWUZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-13-4-2-5-14(10-13)6-7-16-11-15-12-19(18-17-15)8-3-9-20/h12-14,16,20H,2-11H2,1H3.
What are the key properties of 3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol?
3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol has a molecular weight of 280.42 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(3-methylcyclohexyl)ethylamino]methyl]triazol-1-yl]propan-1-ol is sourced from PubChem (CID 66270873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).