trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol

C15H28N4O — CID 46861983

IUPACtrans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
SMILESCC(C)CCN(C)Cc1cn([C@@H]2CCCC[C@H]2O)nn1
InChIInChI=1S/C15H28N4O/c1-12(2)8-9-18(3)10-13-11-19(17-16-13)14-6-4-5-7-15(14)20/h11-12,14-15,20H,4-10H2,1-3H3/t14-,15-/m1/s1
InChIKeySVONAERXQRCYEH-HUUCEWRRSA-N
MW280.42 g/mol
LogP2.23
Rot. Bonds6

About trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol

trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol (PubChem CID 46861983) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
PubChem CID46861983
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Nametrans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
SMILESCC(C)CCN(C)Cc1cn([C@@H]2CCCC[C@H]2O)nn1
InChIInChI=1S/C15H28N4O/c1-12(2)8-9-18(3)10-13-11-19(17-16-13)14-6-4-5-7-15(14)20/h11-12,14-15,20H,4-10H2,1-3H3/t14-,15-/m1/s1
InChIKeySVONAERXQRCYEH-HUUCEWRRSA-N
XLogP2.23
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
CID 46861982
2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid
CID 107461685
trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol
CID 101445678
3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid
CID 107460597
2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol
CID 116642075
2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol
CID 113374500
4-[methyl-[(1-methyltriazol-4-yl)methyl]amino]butan-2-ol
CID 103866978
3-[4-[(dimethylamino)methyl]triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 73134871
2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol
CID 114419711
2-(4-methyltriazol-1-yl)cyclopentan-1-ol
CID 77393104
N-[[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]methyl]-2-methoxy-N-methylethanamine
CID 46983715
4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol
CID 113259203

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol (CID 46861983) is trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol is CC(C)CCN(C)Cc1cn([C@@H]2CCCC[C@H]2O)nn1.
What is the InChIKey of trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol?
The InChIKey is SVONAERXQRCYEH-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H28N4O/c1-12(2)8-9-18(3)10-13-11-19(17-16-13)14-6-4-5-7-15(14)20/h11-12,14-15,20H,4-10H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol?
trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol has a molecular weight of 280.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-[[methyl(3-methylbutyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 46861983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).