4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one

C11H15N3O — CID 134334847

IUPAC4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one
SMILESC=NN(C)CCCC(=O)c1cccnc1
InChIInChI=1S/C11H15N3O/c1-12-14(2)8-4-6-11(15)10-5-3-7-13-9-10/h3,5,7,9H,1,4,6,8H2,2H3
InChIKeyCDDXXGFZYCFINF-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.59
Rot. Bonds6

About 4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one

4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one (PubChem CID 134334847) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one.

Molecular Properties

Compound Name4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one
PubChem CID134334847
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one
SMILESC=NN(C)CCCC(=O)c1cccnc1
InChIInChI=1S/C11H15N3O/c1-12-14(2)8-4-6-11(15)10-5-3-7-13-9-10/h3,5,7,9H,1,4,6,8H2,2H3
InChIKeyCDDXXGFZYCFINF-UHFFFAOYSA-N
XLogP1.59
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-3-ylpentan-1-one
CID 12648543
1-pyridin-3-ylundecan-1-one
CID 19756112
4-(dibenzylamino)-1-pyridin-3-ylbutan-1-one
CID 166171937
7,7-dimethyl-1-pyridin-3-yloctane-1,6-dione
CID 157216244
5-ethoxy-1-pyridin-3-ylpentan-1-one
CID 121009142
1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
CID 60692668
methyl 4-oxo-4-pyridin-3-ylbutanoate
CID 15913004
7,7-diamino-1-pyridin-3-ylheptan-1-one
CID 142992432
1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane
CID 144688664
1-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridin-3-ylbutane-1,4-dione
CID 90371023
2-pyridin-3-ylpent-1-en-3-one
CID 155931297
3-(dimethylamino)propyl pyridine-3-carboxylate
CID 141402583

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one?
The IUPAC name of 4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one (CID 134334847) is 4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one.
What is the SMILES notation for 4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one?
The canonical SMILES for 4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one is C=NN(C)CCCC(=O)c1cccnc1.
What is the InChIKey of 4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one?
The InChIKey is CDDXXGFZYCFINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-12-14(2)8-4-6-11(15)10-5-3-7-13-9-10/h3,5,7,9H,1,4,6,8H2,2H3.
What are the key properties of 4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one?
4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one has a molecular weight of 205.26 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(methylideneamino)amino]-1-pyridin-3-ylbutan-1-one is sourced from PubChem (CID 134334847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).