6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride

C10H21ClN2O — CID 140986778

IUPAC6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride
SMILESCCCCC1CC(C)C(O)C(N)=N1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-3-4-5-8-6-7(2)9(13)10(11)12-8;/h7-9,13H,3-6H2,1-2H3,(H2,11,12);1H
InChIKeyVBAMIWTYAHOYIN-UHFFFAOYSA-N
MW220.74 g/mol
LogP1.72
Rot. Bonds3

About 6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride

6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride (PubChem CID 140986778) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is 6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride.

Molecular Properties

Compound Name6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride
PubChem CID140986778
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride
SMILESCCCCC1CC(C)C(O)C(N)=N1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-3-4-5-8-6-7(2)9(13)10(11)12-8;/h7-9,13H,3-6H2,1-2H3,(H2,11,12);1H
InChIKeyVBAMIWTYAHOYIN-UHFFFAOYSA-N
XLogP1.72
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride?
The IUPAC name of 6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride (CID 140986778) is 6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride.
What is the SMILES notation for 6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride?
The canonical SMILES for 6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride is CCCCC1CC(C)C(O)C(N)=N1.Cl.
What is the InChIKey of 6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride?
The InChIKey is VBAMIWTYAHOYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-3-4-5-8-6-7(2)9(13)10(11)12-8;/h7-9,13H,3-6H2,1-2H3,(H2,11,12);1H.
What are the key properties of 6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride?
6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride has a molecular weight of 220.74 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-butyl-4-methyl-2,3,4,5-tetrahydropyridin-5-ol;hydrochloride is sourced from PubChem (CID 140986778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).