N-butyl-1-thiophen-2-ylmethanimine

C9H13NS — CID 11171192

IUPACN-butyl-1-thiophen-2-ylmethanimine
SMILESCCCC/N=C/c1cccs1
InChIInChI=1S/C9H13NS/c1-2-3-6-10-8-9-5-4-7-11-9/h4-5,7-8H,2-3,6H2,1H3/b10-8+
InChIKeyCAUZOVGNAVRJQF-CSKARUKUSA-N
MW167.28 g/mol
LogP2.97
Rot. Bonds4

About N-butyl-1-thiophen-2-ylmethanimine

N-butyl-1-thiophen-2-ylmethanimine (PubChem CID 11171192) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is N-butyl-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-butyl-1-thiophen-2-ylmethanimine
PubChem CID11171192
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC NameN-butyl-1-thiophen-2-ylmethanimine
SMILESCCCC/N=C/c1cccs1
InChIInChI=1S/C9H13NS/c1-2-3-6-10-8-9-5-4-7-11-9/h4-5,7-8H,2-3,6H2,1H3/b10-8+
InChIKeyCAUZOVGNAVRJQF-CSKARUKUSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-thiophen-2-ylmethanimine?
The IUPAC name of N-butyl-1-thiophen-2-ylmethanimine (CID 11171192) is N-butyl-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-butyl-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-butyl-1-thiophen-2-ylmethanimine is CCCC/N=C/c1cccs1.
What is the InChIKey of N-butyl-1-thiophen-2-ylmethanimine?
The InChIKey is CAUZOVGNAVRJQF-CSKARUKUSA-N. The full InChI is InChI=1S/C9H13NS/c1-2-3-6-10-8-9-5-4-7-11-9/h4-5,7-8H,2-3,6H2,1H3/b10-8+.
What are the key properties of N-butyl-1-thiophen-2-ylmethanimine?
N-butyl-1-thiophen-2-ylmethanimine has a molecular weight of 167.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 11171192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).