ethane;2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol

C12H25NO — CID 145380304

IUPACethane;2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol
SMILESCC.CC(C)C1=CCN(CCO)CC1
InChIInChI=1S/C10H19NO.C2H6/c1-9(2)10-3-5-11(6-4-10)7-8-12;1-2/h3,9,12H,4-8H2,1-2H3;1-2H3
InChIKeyZFAKWHAXUHQAMV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.29
Rot. Bonds3

About ethane;2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol

ethane;2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol (PubChem CID 145380304) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol.

Molecular Properties

Compound Nameethane;2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol
PubChem CID145380304
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol
SMILESCC.CC(C)C1=CCN(CCO)CC1
InChIInChI=1S/C10H19NO.C2H6/c1-9(2)10-3-5-11(6-4-10)7-8-12;1-2/h3,9,12H,4-8H2,1-2H3;1-2H3
InChIKeyZFAKWHAXUHQAMV-UHFFFAOYSA-N
XLogP2.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol?
The IUPAC name of ethane;2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol (CID 145380304) is ethane;2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol.
What is the SMILES notation for ethane;2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol?
The canonical SMILES for ethane;2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol is CC.CC(C)C1=CCN(CCO)CC1.
What is the InChIKey of ethane;2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol?
The InChIKey is ZFAKWHAXUHQAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-9(2)10-3-5-11(6-4-10)7-8-12;1-2/h3,9,12H,4-8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol?
ethane;2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanol is sourced from PubChem (CID 145380304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).