(3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine

C10H15NS — CID 170732019

IUPAC(3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
SMILESC/N=C1\SC=C\C1=C(\C)C(C)C
InChIInChI=1S/C10H15NS/c1-7(2)8(3)9-5-6-12-10(9)11-4/h5-7H,1-4H3/b9-8+,11-10-
InChIKeyUDKVZLBXYFFOKQ-OCBXPSTGSA-N
MW181.30 g/mol
LogP3.25
Rot. Bonds1

About (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine

(3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine (PubChem CID 170732019) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine.

Molecular Properties

Compound Name(3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
PubChem CID170732019
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
SMILESC/N=C1\SC=C\C1=C(\C)C(C)C
InChIInChI=1S/C10H15NS/c1-7(2)8(3)9-5-6-12-10(9)11-4/h5-7H,1-4H3/b9-8+,11-10-
InChIKeyUDKVZLBXYFFOKQ-OCBXPSTGSA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6,6-pentamethylhept-3-ene
CID 76726619
4-(5-bromothiophen-2-yl)-3-methylbutan-2-one
CID 60997090
ethane;3-methyl-1-[4-(2-oxopropyl)phenyl]butan-2-one
CID 162736960
(3Z)-5-(2-formylprop-2-enoyl)-4-methyl-3-(3-methylbutan-2-ylidene)-6-oxocyclohexa-1,4-diene-1-carbaldehyde
CID 163790156
[4-(bromomethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 130090067
(3E,5E)-2,3,6,7-tetramethylocta-3,5-diene
CID 143858492
2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol
CID 82433495
(4-propan-2-ylpyrimidin-5-yl)methanol
CID 130163917
N,N,N',2-tetramethylpropanimidamide
CID 22088148
[4-(bromomethyl)-1-methylpyrazol-5-yl]methanol
CID 123958494
N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]ethanimidamide
CID 123946042
1-[3-bromo-4-(1-fluoroethyl)phenyl]propan-2-one
CID 84709740

Frequently Asked Questions

What is the IUPAC name of (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine?
The IUPAC name of (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine (CID 170732019) is (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine.
What is the SMILES notation for (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine?
The canonical SMILES for (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine is C/N=C1\SC=C\C1=C(\C)C(C)C.
What is the InChIKey of (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine?
The InChIKey is UDKVZLBXYFFOKQ-OCBXPSTGSA-N. The full InChI is InChI=1S/C10H15NS/c1-7(2)8(3)9-5-6-12-10(9)11-4/h5-7H,1-4H3/b9-8+,11-10-.
What are the key properties of (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine?
(3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine has a molecular weight of 181.30 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine is sourced from PubChem (CID 170732019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).