5-(2,3-dimethylbutyl)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-6-ol

C13H25NO — CID 123330789

IUPAC5-(2,3-dimethylbutyl)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-6-ol
SMILESCC1=C(CC(C)C(C)C)C(O)NC(C)C1
InChIInChI=1S/C13H25NO/c1-8(2)9(3)7-12-10(4)6-11(5)14-13(12)15/h8-9,11,13-15H,6-7H2,1-5H3
InChIKeyNZCCOAVETAUAMN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.69
Rot. Bonds3

About 5-(2,3-dimethylbutyl)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-6-ol

5-(2,3-dimethylbutyl)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-6-ol (PubChem CID 123330789) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-(2,3-dimethylbutyl)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-6-ol.

Molecular Properties

Compound Name5-(2,3-dimethylbutyl)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-6-ol
PubChem CID123330789
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-(2,3-dimethylbutyl)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-6-ol
SMILESCC1=C(CC(C)C(C)C)C(O)NC(C)C1
InChIInChI=1S/C13H25NO/c1-8(2)9(3)7-12-10(4)6-11(5)14-13(12)15/h8-9,11,13-15H,6-7H2,1-5H3
InChIKeyNZCCOAVETAUAMN-UHFFFAOYSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dimethylbutyl)-2-methyl-3-prop-2-enylcyclopropene
CID 123211117
6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 71070338
5-methyl-6-propan-2-yl-3,4-dihydro-2H-pyran-3-ol
CID 90923692
(5S,7R)-5,7-dimethyl-N-(2-methylpropyl)-N-propan-2-yl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115242
3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole
CID 171517933
2,4-dimethyl-3,6-dihydro-2H-pyran-6-ol
CID 15658995
4-(4-hydroxy-2-oxopentoxy)-5-methylhexan-2-one;4-methyloxetan-2-one;4-propan-2-yloxetan-2-one
CID 158857276
(2R,6S)-2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 170442257
4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-ol
CID 129132379
1-methyl-4-(2,3,4-trimethylpentyl)cyclopentene
CID 91022928
2,6-dimethylpiperidin-4-one
CID 11040712
(2S)-5,7-dimethyl-2-propan-2-yl-2,3,4,6-tetrahydrocyclopenta[b]pyran-4-ol
CID 59656261

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylbutyl)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-6-ol?
The IUPAC name of 5-(2,3-dimethylbutyl)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-6-ol (CID 123330789) is 5-(2,3-dimethylbutyl)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-6-ol.
What is the SMILES notation for 5-(2,3-dimethylbutyl)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-6-ol?
The canonical SMILES for 5-(2,3-dimethylbutyl)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-6-ol is CC1=C(CC(C)C(C)C)C(O)NC(C)C1.
What is the InChIKey of 5-(2,3-dimethylbutyl)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-6-ol?
The InChIKey is NZCCOAVETAUAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-8(2)9(3)7-12-10(4)6-11(5)14-13(12)15/h8-9,11,13-15H,6-7H2,1-5H3.
What are the key properties of 5-(2,3-dimethylbutyl)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-6-ol?
5-(2,3-dimethylbutyl)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-6-ol has a molecular weight of 211.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylbutyl)-2,4-dimethyl-1,2,3,6-tetrahydropyridin-6-ol is sourced from PubChem (CID 123330789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).