3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol

C17H29NO2 — CID 115829422

IUPAC3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol
SMILESCC(CC(O)c1cncc(OC(C)C)c1)CC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-12(2)20-15-8-14(10-18-11-15)16(19)7-13(3)9-17(4,5)6/h8,10-13,16,19H,7,9H2,1-6H3
InChIKeyAMHSFALFKHHVEW-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.36
Rot. Bonds6

About 3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol

3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol (PubChem CID 115829422) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol.

Molecular Properties

Compound Name3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol
PubChem CID115829422
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol
SMILESCC(CC(O)c1cncc(OC(C)C)c1)CC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-12(2)20-15-8-14(10-18-11-15)16(19)7-13(3)9-17(4,5)6/h8,10-13,16,19H,7,9H2,1-6H3
InChIKeyAMHSFALFKHHVEW-UHFFFAOYSA-N
XLogP4.36
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butyl]hydrazine
CID 105220430
4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol
CID 105121262
2-(1,3-dioxolan-2-yl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanol
CID 103547597
3-cyclohexyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-ol
CID 115829399
2-ethoxy-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-ol
CID 116752280
1-(5-propan-2-yloxy-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474001
1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 115838493
2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine
CID 116725313
3,5,5-trimethyl-1-(4-propoxyphenyl)hexan-1-ol
CID 115795331
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 105176094
[3,5,5-trimethyl-1-(5-methyl-3-pyridinyl)hexyl]hydrazine
CID 105328512
(5-propan-2-yloxy-3-pyridinyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115829389

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol?
The IUPAC name of 3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol (CID 115829422) is 3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol.
What is the SMILES notation for 3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol?
The canonical SMILES for 3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol is CC(CC(O)c1cncc(OC(C)C)c1)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol?
The InChIKey is AMHSFALFKHHVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-12(2)20-15-8-14(10-18-11-15)16(19)7-13(3)9-17(4,5)6/h8,10-13,16,19H,7,9H2,1-6H3.
What are the key properties of 3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol?
3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-ol is sourced from PubChem (CID 115829422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).