(E)-N-butyl-N-methyl-3-thiophen-2-ylprop-2-enimidamide

C12H18N2S — CID 134120811

IUPAC(E)-N-butyl-N-methyl-3-thiophen-2-ylprop-2-enimidamide
SMILES[H]/N=C(/C=C/c1cccs1)N(C)CCCC
InChIInChI=1S/C12H18N2S/c1-3-4-9-14(2)12(13)8-7-11-6-5-10-15-11/h5-8,10,13H,3-4,9H2,1-2H3/b8-7+,13-12-
InChIKeyVXXLEJRICWUZSF-HOEAWKEXSA-N
MW222.36 g/mol
LogP3.47
Rot. Bonds5

About (E)-N-butyl-N-methyl-3-thiophen-2-ylprop-2-enimidamide

(E)-N-butyl-N-methyl-3-thiophen-2-ylprop-2-enimidamide (PubChem CID 134120811) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is (E)-N-butyl-N-methyl-3-thiophen-2-ylprop-2-enimidamide.

Molecular Properties

Compound Name(E)-N-butyl-N-methyl-3-thiophen-2-ylprop-2-enimidamide
PubChem CID134120811
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name(E)-N-butyl-N-methyl-3-thiophen-2-ylprop-2-enimidamide
SMILES[H]/N=C(/C=C/c1cccs1)N(C)CCCC
InChIInChI=1S/C12H18N2S/c1-3-4-9-14(2)12(13)8-7-11-6-5-10-15-11/h5-8,10,13H,3-4,9H2,1-2H3/b8-7+,13-12-
InChIKeyVXXLEJRICWUZSF-HOEAWKEXSA-N
XLogP3.47
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.47
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-(dimethylamino)ethyl butanoate;(2E,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dien-1-imine
CID 165407962
(NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine
CID 87646999
(E)-N,N-bis(2-cyanoethyl)-3-thiophen-2-ylprop-2-enamide
CID 47109319
(dimethylamino)methyl (Z)-3-thiophen-2-ylprop-2-enoate
CID 122223996
2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 59141205
(2S)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]hexanoic acid
CID 93031840
(Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine
CID 5452261
(E)-2-thiophen-2-ylethenol
CID 89297537
(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235244
N,N-dibutyl-3-methoxy-4-(4-thiophen-2-ylbuta-1,3-dienyl)aniline
CID 86667578
(E)-N-(2-amino-2-ethylbutyl)-3-thiophen-2-ylprop-2-enamide
CID 81483652
N-butyl-N-methyl-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 110698469

Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-N-methyl-3-thiophen-2-ylprop-2-enimidamide?
The IUPAC name of (E)-N-butyl-N-methyl-3-thiophen-2-ylprop-2-enimidamide (CID 134120811) is (E)-N-butyl-N-methyl-3-thiophen-2-ylprop-2-enimidamide.
What is the SMILES notation for (E)-N-butyl-N-methyl-3-thiophen-2-ylprop-2-enimidamide?
The canonical SMILES for (E)-N-butyl-N-methyl-3-thiophen-2-ylprop-2-enimidamide is [H]/N=C(/C=C/c1cccs1)N(C)CCCC.
What is the InChIKey of (E)-N-butyl-N-methyl-3-thiophen-2-ylprop-2-enimidamide?
The InChIKey is VXXLEJRICWUZSF-HOEAWKEXSA-N. The full InChI is InChI=1S/C12H18N2S/c1-3-4-9-14(2)12(13)8-7-11-6-5-10-15-11/h5-8,10,13H,3-4,9H2,1-2H3/b8-7+,13-12-.
What are the key properties of (E)-N-butyl-N-methyl-3-thiophen-2-ylprop-2-enimidamide?
(E)-N-butyl-N-methyl-3-thiophen-2-ylprop-2-enimidamide has a molecular weight of 222.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-N-methyl-3-thiophen-2-ylprop-2-enimidamide is sourced from PubChem (CID 134120811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).