5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol

C17H33NO — CID 90689089

IUPAC5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol
SMILESCCC(C)CC(C)C1=CCN(CCCC(C)O)CC1
InChIInChI=1S/C17H33NO/c1-5-14(2)13-15(3)17-8-11-18(12-9-17)10-6-7-16(4)19/h8,14-16,19H,5-7,9-13H2,1-4H3
InChIKeyIKUHFGWTKLOLMZ-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.85
Rot. Bonds8

About 5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol

5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol (PubChem CID 90689089) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol.

Molecular Properties

Compound Name5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol
PubChem CID90689089
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol
SMILESCCC(C)CC(C)C1=CCN(CCCC(C)O)CC1
InChIInChI=1S/C17H33NO/c1-5-14(2)13-15(3)17-8-11-18(12-9-17)10-6-7-16(4)19/h8,14-16,19H,5-7,9-13H2,1-4H3
InChIKeyIKUHFGWTKLOLMZ-UHFFFAOYSA-N
XLogP3.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.85
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 5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol?
The IUPAC name of 5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol (CID 90689089) is 5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol.
What is the SMILES notation for 5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol?
The canonical SMILES for 5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol is CCC(C)CC(C)C1=CCN(CCCC(C)O)CC1.
What is the InChIKey of 5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol?
The InChIKey is IKUHFGWTKLOLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-14(2)13-15(3)17-8-11-18(12-9-17)10-6-7-16(4)19/h8,14-16,19H,5-7,9-13H2,1-4H3.
What are the key properties of 5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol?
5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol has a molecular weight of 267.46 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol is sourced from PubChem (CID 90689089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).