2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide

C9H15N3S — CID 79476605

IUPAC2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CCc1cccs1
InChIInChI=1S/C9H15N3S/c1-12(7-9(10)11)5-4-8-3-2-6-13-8/h2-3,6H,4-5,7H2,1H3,(H3,10,11)
InChIKeyMZNVSRDXEUAOHM-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.16
Rot. Bonds5

About 2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide

2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide (PubChem CID 79476605) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide
PubChem CID79476605
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CCc1cccs1
InChIInChI=1S/C9H15N3S/c1-12(7-9(10)11)5-4-8-3-2-6-13-8/h2-3,6H,4-5,7H2,1H3,(H3,10,11)
InChIKeyMZNVSRDXEUAOHM-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
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

2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide
CID 63774361
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile
CID 63774352
2-methyl-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 78964655
1-(5-ethylthiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485722
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide
CID 79476012
2,2-dimethyl-5-[methyl(thiophen-2-ylmethyl)amino]pentanimidamide
CID 65259252
N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine
CID 79476445
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945
1-(3,4-dimethylphenyl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485875

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide?
The IUPAC name of 2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide (CID 79476605) is 2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide.
What is the SMILES notation for 2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide?
The canonical SMILES for 2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide is [H]/N=C(\N)CN(C)CCc1cccs1.
What is the InChIKey of 2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide?
The InChIKey is MZNVSRDXEUAOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-12(7-9(10)11)5-4-8-3-2-6-13-8/h2-3,6H,4-5,7H2,1H3,(H3,10,11).
What are the key properties of 2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide?
2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide has a molecular weight of 197.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide is sourced from PubChem (CID 79476605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).