1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol

C13H25N5O — CID 107047954

IUPAC1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol
SMILESCC1CCC(C(O)Cc2nnn(C)n2)(N(C)C)CC1
InChIInChI=1S/C13H25N5O/c1-10-5-7-13(8-6-10,17(2)3)11(19)9-12-14-16-18(4)15-12/h10-11,19H,5-9H2,1-4H3
InChIKeyZRNAQFGUUQBIRH-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.62
Rot. Bonds4

About 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol

1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol (PubChem CID 107047954) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol
PubChem CID107047954
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol
SMILESCC1CCC(C(O)Cc2nnn(C)n2)(N(C)C)CC1
InChIInChI=1S/C13H25N5O/c1-10-5-7-13(8-6-10,17(2)3)11(19)9-12-14-16-18(4)15-12/h10-11,19H,5-9H2,1-4H3
InChIKeyZRNAQFGUUQBIRH-UHFFFAOYSA-N
XLogP0.62
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047864
1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047615
1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107046399
1-(chloromethyl)-4-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107054051
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047966
1-cyclohexyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048433
1-(4-ethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047858
2-(2-methyltetrazol-5-yl)-1-[(3S)-pyrrolidin-3-yl]ethanol
CID 164653633
1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107052346
1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-yl]ethanol
CID 107052605
1-cyclopropyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107050394
1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049334

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol?
The IUPAC name of 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol (CID 107047954) is 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol is CC1CCC(C(O)Cc2nnn(C)n2)(N(C)C)CC1.
What is the InChIKey of 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol?
The InChIKey is ZRNAQFGUUQBIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-10-5-7-13(8-6-10,17(2)3)11(19)9-12-14-16-18(4)15-12/h10-11,19H,5-9H2,1-4H3.
What are the key properties of 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol?
1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol has a molecular weight of 267.38 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-4-methylcyclohexyl]-2-(2-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 107047954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).