3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol

C16H27NO — CID 82729718

IUPAC3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol
SMILESCCCCC(CC)CC(O)c1ncccc1CC
InChIInChI=1S/C16H27NO/c1-4-7-9-13(5-2)12-15(18)16-14(6-3)10-8-11-17-16/h8,10-11,13,15,18H,4-7,9,12H2,1-3H3
InChIKeyKUNFWNURYXCNOR-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.28
Rot. Bonds8

About 3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol

3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol (PubChem CID 82729718) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol
PubChem CID82729718
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol
SMILESCCCCC(CC)CC(O)c1ncccc1CC
InChIInChI=1S/C16H27NO/c1-4-7-9-13(5-2)12-15(18)16-14(6-3)10-8-11-17-16/h8,10-11,13,15,18H,4-7,9,12H2,1-3H3
InChIKeyKUNFWNURYXCNOR-UHFFFAOYSA-N
XLogP4.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethyl-2-pyridinyl)-2-methylpentan-1-ol
CID 107893026
3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol
CID 82920139
1-(3-ethyl-2-pyridinyl)hex-4-yn-1-ol
CID 104804228
[2-(2-ethylhexoxy)-3-pyridinyl]methanol
CID 61257576
3-ethyl-1-quinoxalin-5-ylheptan-1-ol
CID 105080613
3-ethyl-1-(2-methylphenyl)heptan-1-ol
CID 63411121
2-(4-tert-butylphenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 82732445
[2-[(1R)-1-aminopentyl]-3-pyridinyl]methanol
CID 55263692
2-(4-chloro-2-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 114855034
3-[2-(3-ethyl-2-pyridinyl)-2-hydroxyethyl]phenol
CID 82730497
N-[[2-(2-ethylhexoxy)-3-pyridinyl]methyl]ethanamine
CID 62290565
1-(3-ethyl-2-pyridinyl)-2-methylpentan-1-amine
CID 107896820

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol?
The IUPAC name of 3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol (CID 82729718) is 3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol.
What is the SMILES notation for 3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol?
The canonical SMILES for 3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol is CCCCC(CC)CC(O)c1ncccc1CC.
What is the InChIKey of 3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol?
The InChIKey is KUNFWNURYXCNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-7-9-13(5-2)12-15(18)16-14(6-3)10-8-11-17-16/h8,10-11,13,15,18H,4-7,9,12H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol?
3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol is sourced from PubChem (CID 82729718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).