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

C11H18N4S — CID 112660217

IUPAC4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(C)C(C)CSC)ccn1
InChIInChI=1S/C11H18N4S/c1-8(7-16-3)15(2)9-4-5-14-10(6-9)11(12)13/h4-6,8H,7H2,1-3H3,(H3,12,13)
InChIKeyGLDDOVPKUFANJM-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.55
Rot. Bonds5

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

4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide (PubChem CID 112660217) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide
PubChem CID112660217
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(C)C(C)CSC)ccn1
InChIInChI=1S/C11H18N4S/c1-8(7-16-3)15(2)9-4-5-14-10(6-9)11(12)13/h4-6,8H,7H2,1-3H3,(H3,12,13)
InChIKeyGLDDOVPKUFANJM-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

4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-2-carboximidamide
CID 79476306
4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide
CID 62924606
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboximidamide
CID 79386836
4-[cyclohexyl(ethyl)amino]pyridine-2-carboximidamide
CID 62926833
N'-hydroxy-4-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-2-carboximidamide
CID 136952000
3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide
CID 112660195
4-(2-methylpropylsulfanylmethyl)pyridine-2-carboximidamide
CID 63881662
4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carboximidamide
CID 79314423
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
4-ethylsulfanylpyridine-2-carboximidamide
CID 62926350
4-(3-methylbutan-2-ylsulfanylmethyl)pyridine-2-carboximidamide
CID 107750271
4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide
CID 62927129

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide?
The IUPAC name of 4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide (CID 112660217) is 4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide?
The canonical SMILES for 4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(N(C)C(C)CSC)ccn1.
What is the InChIKey of 4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide?
The InChIKey is GLDDOVPKUFANJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-8(7-16-3)15(2)9-4-5-14-10(6-9)11(12)13/h4-6,8H,7H2,1-3H3,(H3,12,13).
What are the key properties of 4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide?
4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-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 4-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 112660217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).