N-propyl-1-thiophen-2-ylmethanimine

C8H11NS — CID 15349860

IUPACN-propyl-1-thiophen-2-ylmethanimine
SMILESCCC/N=C/c1cccs1
InChIInChI=1S/C8H11NS/c1-2-5-9-7-8-4-3-6-10-8/h3-4,6-7H,2,5H2,1H3/b9-7+
InChIKeyPVMXSMVYHFXYBN-VQHVLOKHSA-N
MW153.25 g/mol
LogP2.58
Rot. Bonds3

About N-propyl-1-thiophen-2-ylmethanimine

N-propyl-1-thiophen-2-ylmethanimine (PubChem CID 15349860) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is N-propyl-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-propyl-1-thiophen-2-ylmethanimine
PubChem CID15349860
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC NameN-propyl-1-thiophen-2-ylmethanimine
SMILESCCC/N=C/c1cccs1
InChIInChI=1S/C8H11NS/c1-2-5-9-7-8-4-3-6-10-8/h3-4,6-7H,2,5H2,1H3/b9-7+
InChIKeyPVMXSMVYHFXYBN-VQHVLOKHSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.58
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-propyl-1-thiophen-2-ylmethanimine?
The IUPAC name of N-propyl-1-thiophen-2-ylmethanimine (CID 15349860) is N-propyl-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-propyl-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-propyl-1-thiophen-2-ylmethanimine is CCC/N=C/c1cccs1.
What is the InChIKey of N-propyl-1-thiophen-2-ylmethanimine?
The InChIKey is PVMXSMVYHFXYBN-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H11NS/c1-2-5-9-7-8-4-3-6-10-8/h3-4,6-7H,2,5H2,1H3/b9-7+.
What are the key properties of N-propyl-1-thiophen-2-ylmethanimine?
N-propyl-1-thiophen-2-ylmethanimine has a molecular weight of 153.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 15349860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).