3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide

C9H15N3S — CID 43528289

IUPAC3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)Cc1ccsc1
InChIInChI=1S/C9H15N3S/c1-12(4-2-9(10)11)6-8-3-5-13-7-8/h3,5,7H,2,4,6H2,1H3,(H3,10,11)
InChIKeyGISDZDLNZHPLOR-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.51
Rot. Bonds5

About 3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide

3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide (PubChem CID 43528289) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide
PubChem CID43528289
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)Cc1ccsc1
InChIInChI=1S/C9H15N3S/c1-12(4-2-9(10)11)6-8-3-5-13-7-8/h3,5,7H,2,4,6H2,1H3,(H3,10,11)
InChIKeyGISDZDLNZHPLOR-UHFFFAOYSA-N
XLogP1.51
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.51
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

acetic acid;2-thiophen-3-ylethanimidamide
CID 122460781
4-[(4-fluorophenyl)methyl-methylamino]butanimidamide
CID 61413635
4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737759
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 62893526
N-methyl-N-(thiophen-3-ylmethyl)propanimidamide
CID 63175468
3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide
CID 61434663
3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
CID 62969953
1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 55099203
2-(3,4-dimethoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 23935467

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide?
The IUPAC name of 3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide (CID 43528289) is 3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide.
What is the SMILES notation for 3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide?
The canonical SMILES for 3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide is [H]/N=C(\N)CCN(C)Cc1ccsc1.
What is the InChIKey of 3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide?
The InChIKey is GISDZDLNZHPLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-12(4-2-9(10)11)6-8-3-5-13-7-8/h3,5,7H,2,4,6H2,1H3,(H3,10,11).
What are the key properties of 3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide?
3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide has a molecular weight of 197.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide is sourced from PubChem (CID 43528289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).