2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]ethanol

C13H25NO — CID 20655774

IUPAC2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]ethanol
SMILESCC(C)CC(C)N1CC=CCC1CCO
InChIInChI=1S/C13H25NO/c1-11(2)10-12(3)14-8-5-4-6-13(14)7-9-15/h4-5,11-13,15H,6-10H2,1-3H3
InChIKeyGOHIKFDDQUKRFL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.43
Rot. Bonds5

About 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]ethanol

2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]ethanol (PubChem CID 20655774) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]ethanol
PubChem CID20655774
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]ethanol
SMILESCC(C)CC(C)N1CC=CCC1CCO
InChIInChI=1S/C13H25NO/c1-11(2)10-12(3)14-8-5-4-6-13(14)7-9-15/h4-5,11-13,15H,6-10H2,1-3H3
InChIKeyGOHIKFDDQUKRFL-UHFFFAOYSA-N
XLogP2.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-cyclopropyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-ol
CID 23748023
1-(1-methyl-3,6-dihydro-2H-pyridin-2-yl)propan-2-ol
CID 17886199
3-[3-[Methyl(pentyl)amino]spiro[5.5]undeca-1,4,7,10-tetraen-3-yl]propan-1-ol
CID 57750814
[4-(Diethylamino)cyclohex-2-en-1-yl]methanol
CID 68199978
[6-(4-Methylpiperazin-1-yl)cyclohex-3-en-1-yl]methanol
CID 68213096
3-(3,6-dihydro-2H-pyridin-1-yl)butan-1-ol
CID 69996992
2-(1-methyl-3,6-dihydro-2H-pyridin-6-yl)ethanol
CID 135182515
[(5Z,7Z)-1,4-dimethyl-3,4,9,10-tetrahydro-2H-azecin-2-yl]methanol;ethane
CID 143582302
(3S)-3-[methyl-[(5R)-5-methylcyclopenten-1-yl]amino]butan-1-ol;propane
CID 145166315
Cyclohex-3-en-1-yl(diethylamino)methanol
CID 145571397
(2S)-2-[(2R)-1-methoxypropan-2-yl]-1-methyl-3,6-dihydro-2H-pyridine
CID 155217640
4,5-Dimethyl-3-[1-[methyl(propan-2-yl)amino]prop-2-enyl]hex-4-en-1-ol
CID 169963409

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]ethanol?
The IUPAC name of 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]ethanol (CID 20655774) is 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]ethanol?
The canonical SMILES for 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]ethanol is CC(C)CC(C)N1CC=CCC1CCO.
What is the InChIKey of 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]ethanol?
The InChIKey is GOHIKFDDQUKRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)10-12(3)14-8-5-4-6-13(14)7-9-15/h4-5,11-13,15H,6-10H2,1-3H3.
What are the key properties of 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]ethanol?
2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]ethanol has a molecular weight of 211.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylpentan-2-yl)-3,6-dihydro-2H-pyridin-2-yl]ethanol is sourced from PubChem (CID 20655774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).