N'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide

C8H13N3S — CID 163225802

IUPACN'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide
SMILESC/N=C(\N)c1csc(CNC)c1
InChIInChI=1S/C8H13N3S/c1-10-4-7-3-6(5-12-7)8(9)11-2/h3,5,10H,4H2,1-2H3,(H2,9,11)
InChIKeyQCYPUJUICCBXMI-UHFFFAOYSA-N
MW183.28 g/mol
LogP0.80
Rot. Bonds3

About N'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide

N'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide (PubChem CID 163225802) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide.

Molecular Properties

Compound NameN'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide
PubChem CID163225802
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide
SMILESC/N=C(\N)c1csc(CNC)c1
InChIInChI=1S/C8H13N3S/c1-10-4-7-3-6(5-12-7)8(9)11-2/h3,5,10H,4H2,1-2H3,(H2,9,11)
InChIKeyQCYPUJUICCBXMI-UHFFFAOYSA-N
XLogP0.80
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

ethane;5-(methylaminomethyl)-N-methylsulfinylthiophene-3-carboxamide
CID 142231695
[(E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]amino] acetate
CID 163225694
[[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]amino] acetate;dihydrochloride
CID 174056696
tert-butyl [[4-(N'-hydroxycarbamimidoyl)thiophen-2-yl]methylamino] carbonate
CID 175926830
5-(aminomethyl)-N'-methylsulfonylthiophene-3-carboximidamide
CID 172800896
(E)-[amino-[5-(aminomethyl)thiophen-3-yl]methylidene]urea
CID 163225626
1-(4-cyclopropylthiophen-2-yl)-N-methylmethanamine
CID 62490321
5-[(pentan-3-ylamino)methyl]thiophene-3-carboxamide
CID 79605956
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
N-methyl-1-[4-(2-methylpropyl)thiophen-2-yl]methanamine
CID 63889500
1-[4-(methoxymethyl)thiophen-2-yl]-N-methylmethanamine
CID 55253308
5-(butylaminomethyl)thiophene-3-carboxamide
CID 79606629

Frequently Asked Questions

What is the IUPAC name of N'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide?
The IUPAC name of N'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide (CID 163225802) is N'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide.
What is the SMILES notation for N'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide?
The canonical SMILES for N'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide is C/N=C(\N)c1csc(CNC)c1.
What is the InChIKey of N'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide?
The InChIKey is QCYPUJUICCBXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-10-4-7-3-6(5-12-7)8(9)11-2/h3,5,10H,4H2,1-2H3,(H2,9,11).
What are the key properties of N'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide?
N'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide has a molecular weight of 183.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-5-(methylaminomethyl)thiophene-3-carboximidamide is sourced from PubChem (CID 163225802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).