6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide

C12H20N4S — CID 112660156

IUPAC6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C(CC)CSC)nc1
InChIInChI=1S/C12H20N4S/c1-4-10(8-17-3)16(2)11-6-5-9(7-15-11)12(13)14/h5-7,10H,4,8H2,1-3H3,(H3,13,14)
InChIKeyYMNMPEBIMJMXGW-UHFFFAOYSA-N
MW252.39 g/mol
LogP1.94
Rot. Bonds6

About 6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide

6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide (PubChem CID 112660156) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide
PubChem CID112660156
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C(CC)CSC)nc1
InChIInChI=1S/C12H20N4S/c1-4-10(8-17-3)16(2)11-6-5-9(7-15-11)12(13)14/h5-7,10H,4,8H2,1-3H3,(H3,13,14)
InChIKeyYMNMPEBIMJMXGW-UHFFFAOYSA-N
XLogP1.94
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide
CID 60985659
5-(bromomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 107085000
6-[1-(4-chlorophenyl)ethyl-methylamino]pyridine-3-carboximidamide
CID 62978126
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide
CID 28799322
6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide
CID 62860621
6-(2-methylbutylsulfanyl)pyridine-3-carboximidamide
CID 107750112
6-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboximidamide
CID 54943583
6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carboximidamide
CID 43563471
5-(aminomethyl)-N,6-dimethyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 112665337
6-(N-butylanilino)pyridine-3-carboximidamide
CID 64584617
5-bromo-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 61373581
6-(methylaminomethyl)pyridine-3-carboximidamide
CID 145206932

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide?
The IUPAC name of 6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide (CID 112660156) is 6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide?
The canonical SMILES for 6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(N(C)C(CC)CSC)nc1.
What is the InChIKey of 6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide?
The InChIKey is YMNMPEBIMJMXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-4-10(8-17-3)16(2)11-6-5-9(7-15-11)12(13)14/h5-7,10H,4,8H2,1-3H3,(H3,13,14).
What are the key properties of 6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide?
6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide has a molecular weight of 252.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 112660156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).