2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide

C10H16N2OS — CID 114995344

IUPAC2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)COCCc1cccs1
InChIInChI=1S/C10H16N2OS/c1-8(10(11)12)7-13-5-4-9-3-2-6-14-9/h2-3,6,8H,4-5,7H2,1H3,(H3,11,12)
InChIKeyTVYHQPKZXOPDNM-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.88
Rot. Bonds6

About 2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide

2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide (PubChem CID 114995344) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide
PubChem CID114995344
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide
SMILES[H]/N=C(\N)C(C)COCCc1cccs1
InChIInChI=1S/C10H16N2OS/c1-8(10(11)12)7-13-5-4-9-3-2-6-14-9/h2-3,6,8H,4-5,7H2,1H3,(H3,11,12)
InChIKeyTVYHQPKZXOPDNM-UHFFFAOYSA-N
XLogP1.88
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide
CID 43368929
2-(2-thiophen-2-ylethoxymethyl)benzenecarboximidamide
CID 54966720
2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
CID 62669004
3-methoxy-5-(2-thiophen-2-ylethoxy)benzenecarboximidamide
CID 103567669
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
2-methyl-3-(4-propoxyphenoxy)propanimidamide
CID 43175340
N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide
CID 109374870
3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine
CID 64571440
(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 78951125
2-[methyl(2-thiophen-2-ylethyl)amino]ethanimidamide
CID 79476605
1-(4-propan-2-ylphenyl)-2-(2-thiophen-2-ylethoxy)ethanone
CID 62033111

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide?
The IUPAC name of 2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide (CID 114995344) is 2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide.
What is the SMILES notation for 2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide?
The canonical SMILES for 2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide is [H]/N=C(\N)C(C)COCCc1cccs1.
What is the InChIKey of 2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide?
The InChIKey is TVYHQPKZXOPDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8(10(11)12)7-13-5-4-9-3-2-6-14-9/h2-3,6,8H,4-5,7H2,1H3,(H3,11,12).
What are the key properties of 2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide?
2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide has a molecular weight of 212.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-thiophen-2-ylethoxy)propanimidamide is sourced from PubChem (CID 114995344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).