1-(3,4-dihydro-2H-pyridin-1-yl)-4-ethylhexan-1-ol

C13H25NO — CID 163965444

IUPAC1-(3,4-dihydro-2H-pyridin-1-yl)-4-ethylhexan-1-ol
SMILESCCC(CC)CCC(O)N1C=CCCC1
InChIInChI=1S/C13H25NO/c1-3-12(4-2)8-9-13(15)14-10-6-5-7-11-14/h6,10,12-13,15H,3-5,7-9,11H2,1-2H3
InChIKeySLHJMBPZIWGWPP-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.13
Rot. Bonds6

About 1-(3,4-dihydro-2H-pyridin-1-yl)-4-ethylhexan-1-ol

1-(3,4-dihydro-2H-pyridin-1-yl)-4-ethylhexan-1-ol (PubChem CID 163965444) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyridin-1-yl)-4-ethylhexan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyridin-1-yl)-4-ethylhexan-1-ol
PubChem CID163965444
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(3,4-dihydro-2H-pyridin-1-yl)-4-ethylhexan-1-ol
SMILESCCC(CC)CCC(O)N1C=CCCC1
InChIInChI=1S/C13H25NO/c1-3-12(4-2)8-9-13(15)14-10-6-5-7-11-14/h6,10,12-13,15H,3-5,7-9,11H2,1-2H3
InChIKeySLHJMBPZIWGWPP-UHFFFAOYSA-N
XLogP3.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyridin-1-yl)-4-ethylhexan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyridin-1-yl)-4-ethylhexan-1-ol (CID 163965444) is 1-(3,4-dihydro-2H-pyridin-1-yl)-4-ethylhexan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyridin-1-yl)-4-ethylhexan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyridin-1-yl)-4-ethylhexan-1-ol is CCC(CC)CCC(O)N1C=CCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyridin-1-yl)-4-ethylhexan-1-ol?
The InChIKey is SLHJMBPZIWGWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-12(4-2)8-9-13(15)14-10-6-5-7-11-14/h6,10,12-13,15H,3-5,7-9,11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyridin-1-yl)-4-ethylhexan-1-ol?
1-(3,4-dihydro-2H-pyridin-1-yl)-4-ethylhexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyridin-1-yl)-4-ethylhexan-1-ol is sourced from PubChem (CID 163965444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).