1-hydroxy-2-imino-6-methyl-N,N-dipropylpyridin-4-amine

C12H21N3O — CID 22764283

IUPAC1-hydroxy-2-imino-6-methyl-N,N-dipropylpyridin-4-amine
SMILES[H]/N=c1\cc(N(CCC)CCC)cc(C)n1O
InChIInChI=1S/C12H21N3O/c1-4-6-14(7-5-2)11-8-10(3)15(16)12(13)9-11/h8-9,13,16H,4-7H2,1-3H3/b13-12+
InChIKeyFCEIZOWNJPBDNU-OUKQBFOZSA-N
MW223.32 g/mol
LogP2.14
Rot. Bonds5

About 1-hydroxy-2-imino-6-methyl-N,N-dipropylpyridin-4-amine

1-hydroxy-2-imino-6-methyl-N,N-dipropylpyridin-4-amine (PubChem CID 22764283) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-hydroxy-2-imino-6-methyl-N,N-dipropylpyridin-4-amine.

Molecular Properties

Compound Name1-hydroxy-2-imino-6-methyl-N,N-dipropylpyridin-4-amine
PubChem CID22764283
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-hydroxy-2-imino-6-methyl-N,N-dipropylpyridin-4-amine
SMILES[H]/N=c1\cc(N(CCC)CCC)cc(C)n1O
InChIInChI=1S/C12H21N3O/c1-4-6-14(7-5-2)11-8-10(3)15(16)12(13)9-11/h8-9,13,16H,4-7H2,1-3H3/b13-12+
InChIKeyFCEIZOWNJPBDNU-OUKQBFOZSA-N
XLogP2.14
TPSA52.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-imino-6-methyl-N,N-dipropylpyridin-4-amine?
The IUPAC name of 1-hydroxy-2-imino-6-methyl-N,N-dipropylpyridin-4-amine (CID 22764283) is 1-hydroxy-2-imino-6-methyl-N,N-dipropylpyridin-4-amine.
What is the SMILES notation for 1-hydroxy-2-imino-6-methyl-N,N-dipropylpyridin-4-amine?
The canonical SMILES for 1-hydroxy-2-imino-6-methyl-N,N-dipropylpyridin-4-amine is [H]/N=c1\cc(N(CCC)CCC)cc(C)n1O.
What is the InChIKey of 1-hydroxy-2-imino-6-methyl-N,N-dipropylpyridin-4-amine?
The InChIKey is FCEIZOWNJPBDNU-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-6-14(7-5-2)11-8-10(3)15(16)12(13)9-11/h8-9,13,16H,4-7H2,1-3H3/b13-12+.
What are the key properties of 1-hydroxy-2-imino-6-methyl-N,N-dipropylpyridin-4-amine?
1-hydroxy-2-imino-6-methyl-N,N-dipropylpyridin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-imino-6-methyl-N,N-dipropylpyridin-4-amine is sourced from PubChem (CID 22764283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).