2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide

C11H19N3S — CID 63774361

IUPAC2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CCc1cccs1
InChIInChI=1S/C11H19N3S/c1-9(11(12)13)8-14(2)6-5-10-4-3-7-15-10/h3-4,7,9H,5-6,8H2,1-2H3,(H3,12,13)
InChIKeyXQKDJYICUULOGS-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.79
Rot. Bonds6

About 2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide

2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide (PubChem CID 63774361) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide.

Molecular Properties

Compound Name2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide
PubChem CID63774361
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)CN(C)CCc1cccs1
InChIInChI=1S/C11H19N3S/c1-9(11(12)13)8-14(2)6-5-10-4-3-7-15-10/h3-4,7,9H,5-6,8H2,1-2H3,(H3,12,13)
InChIKeyXQKDJYICUULOGS-UHFFFAOYSA-N
XLogP1.79
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.79
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

(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide
CID 79476605
2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide
CID 114995344
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
3-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanimidamide
CID 65445995
1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 112561777
1-[methyl(2-thiophen-2-ylethyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 79476363
2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79486334
1-N-methyl-3-phenyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79487965
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 115997187
2-bromo-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80690433
2-methyl-3-(N-methylanilino)propanimidamide
CID 43175003

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide?
The IUPAC name of 2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide (CID 63774361) is 2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide.
What is the SMILES notation for 2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide?
The canonical SMILES for 2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide is [H]/N=C(\N)C(C)CN(C)CCc1cccs1.
What is the InChIKey of 2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide?
The InChIKey is XQKDJYICUULOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9(11(12)13)8-14(2)6-5-10-4-3-7-15-10/h3-4,7,9H,5-6,8H2,1-2H3,(H3,12,13).
What are the key properties of 2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide?
2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide has a molecular weight of 225.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propanimidamide is sourced from PubChem (CID 63774361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).