1-[3,6-dimethyl-5-(3-methylbutyl)pyrazin-2-yl]-3-methylbutan-1-ol

C16H28N2O — CID 10778051

IUPAC1-[3,6-dimethyl-5-(3-methylbutyl)pyrazin-2-yl]-3-methylbutan-1-ol
SMILESCc1nc(C(O)CC(C)C)c(C)nc1CCC(C)C
InChIInChI=1S/C16H28N2O/c1-10(2)7-8-14-12(5)18-16(13(6)17-14)15(19)9-11(3)4/h10-11,15,19H,7-9H2,1-6H3
InChIKeyIVRRKLSWFJTNEG-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.76
Rot. Bonds6

About 1-[3,6-dimethyl-5-(3-methylbutyl)pyrazin-2-yl]-3-methylbutan-1-ol

1-[3,6-dimethyl-5-(3-methylbutyl)pyrazin-2-yl]-3-methylbutan-1-ol (PubChem CID 10778051) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[3,6-dimethyl-5-(3-methylbutyl)pyrazin-2-yl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-[3,6-dimethyl-5-(3-methylbutyl)pyrazin-2-yl]-3-methylbutan-1-ol
PubChem CID10778051
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[3,6-dimethyl-5-(3-methylbutyl)pyrazin-2-yl]-3-methylbutan-1-ol
SMILESCc1nc(C(O)CC(C)C)c(C)nc1CCC(C)C
InChIInChI=1S/C16H28N2O/c1-10(2)7-8-14-12(5)18-16(13(6)17-14)15(19)9-11(3)4/h10-11,15,19H,7-9H2,1-6H3
InChIKeyIVRRKLSWFJTNEG-UHFFFAOYSA-N
XLogP3.76
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,6-dimethyl-5-(3-methylbutyl)pyrazin-2-yl]-3-methylbutan-1-ol?
The IUPAC name of 1-[3,6-dimethyl-5-(3-methylbutyl)pyrazin-2-yl]-3-methylbutan-1-ol (CID 10778051) is 1-[3,6-dimethyl-5-(3-methylbutyl)pyrazin-2-yl]-3-methylbutan-1-ol.
What is the SMILES notation for 1-[3,6-dimethyl-5-(3-methylbutyl)pyrazin-2-yl]-3-methylbutan-1-ol?
The canonical SMILES for 1-[3,6-dimethyl-5-(3-methylbutyl)pyrazin-2-yl]-3-methylbutan-1-ol is Cc1nc(C(O)CC(C)C)c(C)nc1CCC(C)C.
What is the InChIKey of 1-[3,6-dimethyl-5-(3-methylbutyl)pyrazin-2-yl]-3-methylbutan-1-ol?
The InChIKey is IVRRKLSWFJTNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-10(2)7-8-14-12(5)18-16(13(6)17-14)15(19)9-11(3)4/h10-11,15,19H,7-9H2,1-6H3.
What are the key properties of 1-[3,6-dimethyl-5-(3-methylbutyl)pyrazin-2-yl]-3-methylbutan-1-ol?
1-[3,6-dimethyl-5-(3-methylbutyl)pyrazin-2-yl]-3-methylbutan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,6-dimethyl-5-(3-methylbutyl)pyrazin-2-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 10778051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).