2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide

C9H14N2S — CID 63248055

IUPAC2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide
SMILESCC(C)/C(N)=N\Cc1ccsc1
InChIInChI=1S/C9H14N2S/c1-7(2)9(10)11-5-8-3-4-12-6-8/h3-4,6-7H,5H2,1-2H3,(H2,10,11)
InChIKeyMKHQDKUNAYKYHZ-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.26
Rot. Bonds3

About 2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide

2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide (PubChem CID 63248055) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide
PubChem CID63248055
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide
SMILESCC(C)/C(N)=N\Cc1ccsc1
InChIInChI=1S/C9H14N2S/c1-7(2)9(10)11-5-8-3-4-12-6-8/h3-4,6-7H,5H2,1-2H3,(H2,10,11)
InChIKeyMKHQDKUNAYKYHZ-UHFFFAOYSA-N
XLogP2.26
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide
CID 63174015
1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 75482122
N'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide
CID 63248056
1-ethyl-3-propan-2-yl-2-(thiophen-3-ylmethyl)guanidine
CID 111125859
1-amino-2-(1-thiophen-3-ylpropan-2-yl)guanidine
CID 64872450
1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine
CID 62407822
1-ethyl-3-(3-methylbutan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111000522
1-(3-methylphenyl)-2-(thiophen-3-ylmethyl)guanidine
CID 111052104
1-methyl-2-(2-methylpropyl)-1-(thiophen-3-ylmethyl)guanidine
CID 62362772
N-amino-N'-propan-2-yl-2-thiophen-3-ylethanimidamide
CID 61361495
1-hydroxy-2-(1-thiophen-3-ylpropan-2-yl)guanidine
CID 62482918
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide
CID 54987583

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide?
The IUPAC name of 2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide (CID 63248055) is 2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide.
What is the SMILES notation for 2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide?
The canonical SMILES for 2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide is CC(C)/C(N)=N\Cc1ccsc1.
What is the InChIKey of 2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide?
The InChIKey is MKHQDKUNAYKYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7(2)9(10)11-5-8-3-4-12-6-8/h3-4,6-7H,5H2,1-2H3,(H2,10,11).
What are the key properties of 2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide?
2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide has a molecular weight of 182.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide is sourced from PubChem (CID 63248055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).