N-(2-methylpropyl)-1-thiophen-2-ylmethanimine

C9H13NS — CID 54548172

IUPACN-(2-methylpropyl)-1-thiophen-2-ylmethanimine
SMILESCC(C)C/N=C/c1cccs1
InChIInChI=1S/C9H13NS/c1-8(2)6-10-7-9-4-3-5-11-9/h3-5,7-8H,6H2,1-2H3/b10-7+
InChIKeyZIASKGNEMKVMNA-JXMROGBWSA-N
MW167.28 g/mol
LogP2.82
Rot. Bonds3

About N-(2-methylpropyl)-1-thiophen-2-ylmethanimine

N-(2-methylpropyl)-1-thiophen-2-ylmethanimine (PubChem CID 54548172) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-thiophen-2-ylmethanimine
PubChem CID54548172
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC NameN-(2-methylpropyl)-1-thiophen-2-ylmethanimine
SMILESCC(C)C/N=C/c1cccs1
InChIInChI=1S/C9H13NS/c1-8(2)6-10-7-9-4-3-5-11-9/h3-5,7-8H,6H2,1-2H3/b10-7+
InChIKeyZIASKGNEMKVMNA-JXMROGBWSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(2-methylpropyl)-1-thiophen-2-ylmethanimine (CID 54548172) is N-(2-methylpropyl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(2-methylpropyl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(2-methylpropyl)-1-thiophen-2-ylmethanimine is CC(C)C/N=C/c1cccs1.
What is the InChIKey of N-(2-methylpropyl)-1-thiophen-2-ylmethanimine?
The InChIKey is ZIASKGNEMKVMNA-JXMROGBWSA-N. The full InChI is InChI=1S/C9H13NS/c1-8(2)6-10-7-9-4-3-5-11-9/h3-5,7-8H,6H2,1-2H3/b10-7+.
What are the key properties of N-(2-methylpropyl)-1-thiophen-2-ylmethanimine?
N-(2-methylpropyl)-1-thiophen-2-ylmethanimine has a molecular weight of 167.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 54548172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).