N'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide

C10H16N2S — CID 63173615

IUPACN'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide
SMILESC/C(N)=N\C(c1cccs1)C(C)C
InChIInChI=1S/C10H16N2S/c1-7(2)10(12-8(3)11)9-5-4-6-13-9/h4-7,10H,1-3H3,(H2,11,12)
InChIKeyBBJVOPSXIHQSBL-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.82
Rot. Bonds3

About N'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide

N'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide (PubChem CID 63173615) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide
PubChem CID63173615
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide
SMILESC/C(N)=N\C(c1cccs1)C(C)C
InChIInChI=1S/C10H16N2S/c1-7(2)10(12-8(3)11)9-5-4-6-13-9/h4-7,10H,1-3H3,(H2,11,12)
InChIKeyBBJVOPSXIHQSBL-UHFFFAOYSA-N
XLogP2.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.82
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

2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine
CID 62368230
N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide
CID 55158432
1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine
CID 116514136
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
2-propan-2-ylthiophene
CID 178128598
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine
CID 52501435
2-(diaminomethylideneamino)-2-thiophen-2-ylacetic acid
CID 138683337
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508
N'-(1-thiophen-2-ylethyl)cyclohexanecarboximidamide
CID 63175965
(1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol
CID 11651207

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide?
The IUPAC name of N'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide (CID 63173615) is N'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide.
What is the SMILES notation for N'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide?
The canonical SMILES for N'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide is C/C(N)=N\C(c1cccs1)C(C)C.
What is the InChIKey of N'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide?
The InChIKey is BBJVOPSXIHQSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7(2)10(12-8(3)11)9-5-4-6-13-9/h4-7,10H,1-3H3,(H2,11,12).
What are the key properties of N'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide?
N'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide has a molecular weight of 196.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide is sourced from PubChem (CID 63173615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).