N-butyl-1-thiophen-2-ylethanimine

C10H15NS — CID 86108840

IUPACN-butyl-1-thiophen-2-ylethanimine
SMILESCCCC/N=C(\C)c1cccs1
InChIInChI=1S/C10H15NS/c1-3-4-7-11-9(2)10-6-5-8-12-10/h5-6,8H,3-4,7H2,1-2H3/b11-9+
InChIKeyGKPACXZVZMKYAV-PKNBQFBNSA-N
MW181.30 g/mol
LogP3.36
Rot. Bonds4

About N-butyl-1-thiophen-2-ylethanimine

N-butyl-1-thiophen-2-ylethanimine (PubChem CID 86108840) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is N-butyl-1-thiophen-2-ylethanimine.

Molecular Properties

Compound NameN-butyl-1-thiophen-2-ylethanimine
PubChem CID86108840
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC NameN-butyl-1-thiophen-2-ylethanimine
SMILESCCCC/N=C(\C)c1cccs1
InChIInChI=1S/C10H15NS/c1-3-4-7-11-9(2)10-6-5-8-12-10/h5-6,8H,3-4,7H2,1-2H3/b11-9+
InChIKeyGKPACXZVZMKYAV-PKNBQFBNSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.36
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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Related Compounds

CID 11799122
CID 11799122
N-(2,2-diethoxyethyl)-1-thiophen-2-ylethanimine
CID 14461470
N-(1-thiophen-2-ylethylideneamino)octanamide
CID 2841814
N-(1-thiophen-2-ylethylideneamino)dodecanamide
CID 4295829
N-[(E)-1-thiophen-2-ylethylideneamino]nonanamide
CID 6307256
CID 10791906
CID 10791906
CID 6812612
CID 6812612
2,3-dibutyl-1,4-dithiophen-2-ylbutane-1,4-dione
CID 3628681
N-butyl-1-pyridin-2-ylethanimine
CID 583773
N-[3-[[ethylamino-(pentylamino)methylidene]amino]propyl]thiophene-2-carboxamide;hydroiodide
CID 111130027
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885
2-[(E)-2-methyloct-3-en-4-yl]thiophene
CID 146324336

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-thiophen-2-ylethanimine?
The IUPAC name of N-butyl-1-thiophen-2-ylethanimine (CID 86108840) is N-butyl-1-thiophen-2-ylethanimine.
What is the SMILES notation for N-butyl-1-thiophen-2-ylethanimine?
The canonical SMILES for N-butyl-1-thiophen-2-ylethanimine is CCCC/N=C(\C)c1cccs1.
What is the InChIKey of N-butyl-1-thiophen-2-ylethanimine?
The InChIKey is GKPACXZVZMKYAV-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H15NS/c1-3-4-7-11-9(2)10-6-5-8-12-10/h5-6,8H,3-4,7H2,1-2H3/b11-9+.
What are the key properties of N-butyl-1-thiophen-2-ylethanimine?
N-butyl-1-thiophen-2-ylethanimine has a molecular weight of 181.30 g/mol, XLogP of 3.36, 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-ylethanimine is sourced from PubChem (CID 86108840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).