[5-(2-methylbutyl)thiophen-2-yl]methanimine

C10H15NS — CID 143618608

IUPAC[5-(2-methylbutyl)thiophen-2-yl]methanimine
SMILES[H]/N=C/c1ccc(CC(C)CC)s1
InChIInChI=1S/C10H15NS/c1-3-8(2)6-9-4-5-10(7-11)12-9/h4-5,7-8,11H,3,6H2,1-2H3/b11-7+
InChIKeyACLHDQHDKQTAOP-YRNVUSSQSA-N
MW181.30 g/mol
LogP3.33
Rot. Bonds4

About [5-(2-methylbutyl)thiophen-2-yl]methanimine

[5-(2-methylbutyl)thiophen-2-yl]methanimine (PubChem CID 143618608) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is [5-(2-methylbutyl)thiophen-2-yl]methanimine.

Molecular Properties

Compound Name[5-(2-methylbutyl)thiophen-2-yl]methanimine
PubChem CID143618608
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name[5-(2-methylbutyl)thiophen-2-yl]methanimine
SMILES[H]/N=C/c1ccc(CC(C)CC)s1
InChIInChI=1S/C10H15NS/c1-3-8(2)6-9-4-5-10(7-11)12-9/h4-5,7-8,11H,3,6H2,1-2H3/b11-7+
InChIKeyACLHDQHDKQTAOP-YRNVUSSQSA-N
XLogP3.33
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethylbenzene;[5-(2-methylpropyl)thiophen-2-yl]methanimine
CID 143552932
2-methyl-5-(2-methylbutyl)thiophene
CID 88977809
2-benzyl-5-(2-methylbutyl)thiophene
CID 57041002
N-benzyl-5-(2-methylbutyl)thiophene-2-carboxamide
CID 143246003
2-[2-(bromomethyl)-3-methylbut-1-enyl]-5-ethylthiophene
CID 79323820
1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
4-[(E)-2-[5-(2-methylpropyl)thiophen-2-yl]ethenyl]pyridine
CID 129068407
2-bromo-5-(3-chloro-2-methylpropyl)thiophene
CID 66036533
1-ethyl-2-(2-methylbutyl)benzene
CID 91267290
1-[5-(2-aminobutyl)thiophen-2-yl]butan-2-amine;hydrochloride
CID 170888988
(2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol
CID 15156705
1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
CID 63718703

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylbutyl)thiophen-2-yl]methanimine?
The IUPAC name of [5-(2-methylbutyl)thiophen-2-yl]methanimine (CID 143618608) is [5-(2-methylbutyl)thiophen-2-yl]methanimine.
What is the SMILES notation for [5-(2-methylbutyl)thiophen-2-yl]methanimine?
The canonical SMILES for [5-(2-methylbutyl)thiophen-2-yl]methanimine is [H]/N=C/c1ccc(CC(C)CC)s1.
What is the InChIKey of [5-(2-methylbutyl)thiophen-2-yl]methanimine?
The InChIKey is ACLHDQHDKQTAOP-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H15NS/c1-3-8(2)6-9-4-5-10(7-11)12-9/h4-5,7-8,11H,3,6H2,1-2H3/b11-7+.
What are the key properties of [5-(2-methylbutyl)thiophen-2-yl]methanimine?
[5-(2-methylbutyl)thiophen-2-yl]methanimine has a molecular weight of 181.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylbutyl)thiophen-2-yl]methanimine is sourced from PubChem (CID 143618608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).