2-pyrazin-2-ylheptan-2-ol

C11H18N2O — CID 80558599

IUPAC2-pyrazin-2-ylheptan-2-ol
SMILESCCCCCC(C)(O)c1cnccn1
InChIInChI=1S/C11H18N2O/c1-3-4-5-6-11(2,14)10-9-12-7-8-13-10/h7-9,14H,3-6H2,1-2H3
InChIKeyJHLGKJCGPJIHAB-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.26
Rot. Bonds5

About 2-pyrazin-2-ylheptan-2-ol

2-pyrazin-2-ylheptan-2-ol (PubChem CID 80558599) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-pyrazin-2-ylheptan-2-ol.

Molecular Properties

Compound Name2-pyrazin-2-ylheptan-2-ol
PubChem CID80558599
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-pyrazin-2-ylheptan-2-ol
SMILESCCCCCC(C)(O)c1cnccn1
InChIInChI=1S/C11H18N2O/c1-3-4-5-6-11(2,14)10-9-12-7-8-13-10/h7-9,14H,3-6H2,1-2H3
InChIKeyJHLGKJCGPJIHAB-UHFFFAOYSA-N
XLogP2.26
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylnonan-3-yl)pyrazine
CID 139342316
1-methoxy-2-pyrazin-2-ylpropan-2-ol
CID 63967745
3,3-dimethyl-2-pyrazin-2-ylbutan-2-ol
CID 115401177
4-(2-hydroxyheptan-2-yl)phenol
CID 83075318
(2R)-2-amino-2-pyrazin-2-ylpropan-1-ol
CID 55292207
2-(1-methylimidazol-2-yl)heptan-2-ol
CID 80558802
2-(4-methylphenyl)octan-2-ol
CID 65144778
3-(2-methyloctan-2-yl)pyridine
CID 126558457
6-pyridin-2-ylundecan-6-ol
CID 21415651
2-[(2S)-2-methoxybutan-2-yl]pyrazine
CID 97049922
2-quinolin-6-ylheptan-2-ol
CID 81215851
ethyl 2-methyl-2-pyrazin-2-ylpropanoate
CID 63967744

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-ylheptan-2-ol?
The IUPAC name of 2-pyrazin-2-ylheptan-2-ol (CID 80558599) is 2-pyrazin-2-ylheptan-2-ol.
What is the SMILES notation for 2-pyrazin-2-ylheptan-2-ol?
The canonical SMILES for 2-pyrazin-2-ylheptan-2-ol is CCCCCC(C)(O)c1cnccn1.
What is the InChIKey of 2-pyrazin-2-ylheptan-2-ol?
The InChIKey is JHLGKJCGPJIHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-5-6-11(2,14)10-9-12-7-8-13-10/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 2-pyrazin-2-ylheptan-2-ol?
2-pyrazin-2-ylheptan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-ylheptan-2-ol is sourced from PubChem (CID 80558599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).