3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide

C11H18N4S — CID 112660195

IUPAC3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1N(C)C(C)CSC
InChIInChI=1S/C11H18N4S/c1-8(7-16-3)15(2)10-6-14-5-4-9(10)11(12)13/h4-6,8H,7H2,1-3H3,(H3,12,13)
InChIKeyCEMMNBGDDWHVQH-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.55
Rot. Bonds5

About 3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide

3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide (PubChem CID 112660195) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide
PubChem CID112660195
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1N(C)C(C)CSC
InChIInChI=1S/C11H18N4S/c1-8(7-16-3)15(2)10-6-14-5-4-9(10)11(12)13/h4-6,8H,7H2,1-3H3,(H3,12,13)
InChIKeyCEMMNBGDDWHVQH-UHFFFAOYSA-N
XLogP1.55
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.55
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

2-[methyl(pentan-2-yl)amino]benzenecarboximidamide
CID 43572161
4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide
CID 112660217
N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 105074392
3-[methyl(propan-2-yl)amino]pyridazine-4-carboximidamide
CID 80512957
3-[(3-chloro-4-pyridinyl)-methylamino]butanimidamide
CID 79840609
2-[1-hydroxypropan-2-yl(methyl)amino]-4-methylbenzenecarboximidamide
CID 104552211
3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105071045
3-[methyl(4-methylpentan-2-yl)amino]pyridazine-4-carboximidamide
CID 80513543
2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 62334639
4-chloro-2-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552195
3-cyclopropylpyridine-4-carboximidamide
CID 148650231
2-[butan-2-yl(methyl)amino]-5-chlorobenzenecarboximidamide
CID 62493913

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide?
The IUPAC name of 3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide (CID 112660195) is 3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccncc1N(C)C(C)CSC.
What is the InChIKey of 3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide?
The InChIKey is CEMMNBGDDWHVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-8(7-16-3)15(2)10-6-14-5-4-9(10)11(12)13/h4-6,8H,7H2,1-3H3,(H3,12,13).
What are the key properties of 3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide?
3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide has a molecular weight of 238.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 112660195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).