3-[C,N-bis(ethenyl)carbonimidoyl]-N-methylpyridin-2-amine;ethane

C13H19N3 — CID 143596499

IUPAC3-[C,N-bis(ethenyl)carbonimidoyl]-N-methylpyridin-2-amine;ethane
SMILESC=C/N=C(\C=C)c1cccnc1NC.CC
InChIInChI=1S/C11H13N3.C2H6/c1-4-10(13-5-2)9-7-6-8-14-11(9)12-3;1-2/h4-8H,1-2H2,3H3,(H,12,14);1-2H3/b13-10+;
InChIKeyJDQJUAHOZFZBJC-RSGUCCNWSA-N
MW217.32 g/mol
LogP3.27
Rot. Bonds4

About 3-[C,N-bis(ethenyl)carbonimidoyl]-N-methylpyridin-2-amine;ethane

3-[C,N-bis(ethenyl)carbonimidoyl]-N-methylpyridin-2-amine;ethane (PubChem CID 143596499) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-[C,N-bis(ethenyl)carbonimidoyl]-N-methylpyridin-2-amine;ethane.

Molecular Properties

Compound Name3-[C,N-bis(ethenyl)carbonimidoyl]-N-methylpyridin-2-amine;ethane
PubChem CID143596499
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-[C,N-bis(ethenyl)carbonimidoyl]-N-methylpyridin-2-amine;ethane
SMILESC=C/N=C(\C=C)c1cccnc1NC.CC
InChIInChI=1S/C11H13N3.C2H6/c1-4-10(13-5-2)9-7-6-8-14-11(9)12-3;1-2/h4-8H,1-2H2,3H3,(H,12,14);1-2H3/b13-10+;
InChIKeyJDQJUAHOZFZBJC-RSGUCCNWSA-N
XLogP3.27
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(methylamino)-3-pyridinyl]butan-1-one
CID 59932550
2-(methylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62167336
N-methyl-2-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 62166706
N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62172228
3-(1,1-difluoroethyl)-N-methylpyridin-2-amine
CID 89432261
N-(4-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167597
N-[(3-chlorophenyl)methyl]-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62179082
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
ethene;3-ethyl-N-methylpyridin-2-amine
CID 143712916
3-[(Z)-1-bromo-3-thiomorpholin-4-ylprop-1-enyl]-N-methylpyridin-2-amine
CID 143384836
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 62179516

Frequently Asked Questions

What is the IUPAC name of 3-[C,N-bis(ethenyl)carbonimidoyl]-N-methylpyridin-2-amine;ethane?
The IUPAC name of 3-[C,N-bis(ethenyl)carbonimidoyl]-N-methylpyridin-2-amine;ethane (CID 143596499) is 3-[C,N-bis(ethenyl)carbonimidoyl]-N-methylpyridin-2-amine;ethane.
What is the SMILES notation for 3-[C,N-bis(ethenyl)carbonimidoyl]-N-methylpyridin-2-amine;ethane?
The canonical SMILES for 3-[C,N-bis(ethenyl)carbonimidoyl]-N-methylpyridin-2-amine;ethane is C=C/N=C(\C=C)c1cccnc1NC.CC.
What is the InChIKey of 3-[C,N-bis(ethenyl)carbonimidoyl]-N-methylpyridin-2-amine;ethane?
The InChIKey is JDQJUAHOZFZBJC-RSGUCCNWSA-N. The full InChI is InChI=1S/C11H13N3.C2H6/c1-4-10(13-5-2)9-7-6-8-14-11(9)12-3;1-2/h4-8H,1-2H2,3H3,(H,12,14);1-2H3/b13-10+;.
What are the key properties of 3-[C,N-bis(ethenyl)carbonimidoyl]-N-methylpyridin-2-amine;ethane?
3-[C,N-bis(ethenyl)carbonimidoyl]-N-methylpyridin-2-amine;ethane has a molecular weight of 217.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[C,N-bis(ethenyl)carbonimidoyl]-N-methylpyridin-2-amine;ethane is sourced from PubChem (CID 143596499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).