3-amino-1-butyl-5,6-dimethyl-2H-pyridin-2-ol

C11H20N2O — CID 89153739

IUPAC3-amino-1-butyl-5,6-dimethyl-2H-pyridin-2-ol
SMILESCCCCN1C(C)=C(C)C=C(N)C1O
InChIInChI=1S/C11H20N2O/c1-4-5-6-13-9(3)8(2)7-10(12)11(13)14/h7,11,14H,4-6,12H2,1-3H3
InChIKeyRJIMDCYUUQIUTP-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.56
Rot. Bonds3

About 3-amino-1-butyl-5,6-dimethyl-2H-pyridin-2-ol

3-amino-1-butyl-5,6-dimethyl-2H-pyridin-2-ol (PubChem CID 89153739) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-amino-1-butyl-5,6-dimethyl-2H-pyridin-2-ol.

Molecular Properties

Compound Name3-amino-1-butyl-5,6-dimethyl-2H-pyridin-2-ol
PubChem CID89153739
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-amino-1-butyl-5,6-dimethyl-2H-pyridin-2-ol
SMILESCCCCN1C(C)=C(C)C=C(N)C1O
InChIInChI=1S/C11H20N2O/c1-4-5-6-13-9(3)8(2)7-10(12)11(13)14/h7,11,14H,4-6,12H2,1-3H3
InChIKeyRJIMDCYUUQIUTP-UHFFFAOYSA-N
XLogP1.56
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-butyl-5,6-dimethyl-2H-pyridin-2-ol?
The IUPAC name of 3-amino-1-butyl-5,6-dimethyl-2H-pyridin-2-ol (CID 89153739) is 3-amino-1-butyl-5,6-dimethyl-2H-pyridin-2-ol.
What is the SMILES notation for 3-amino-1-butyl-5,6-dimethyl-2H-pyridin-2-ol?
The canonical SMILES for 3-amino-1-butyl-5,6-dimethyl-2H-pyridin-2-ol is CCCCN1C(C)=C(C)C=C(N)C1O.
What is the InChIKey of 3-amino-1-butyl-5,6-dimethyl-2H-pyridin-2-ol?
The InChIKey is RJIMDCYUUQIUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-5-6-13-9(3)8(2)7-10(12)11(13)14/h7,11,14H,4-6,12H2,1-3H3.
What are the key properties of 3-amino-1-butyl-5,6-dimethyl-2H-pyridin-2-ol?
3-amino-1-butyl-5,6-dimethyl-2H-pyridin-2-ol has a molecular weight of 196.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-butyl-5,6-dimethyl-2H-pyridin-2-ol is sourced from PubChem (CID 89153739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).