2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine

C16H21NS — CID 79330007

IUPAC2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine
SMILESCCC(=Cc1csc2ccccc12)CNC(C)C
InChIInChI=1S/C16H21NS/c1-4-13(10-17-12(2)3)9-14-11-18-16-8-6-5-7-15(14)16/h5-9,11-12,17H,4,10H2,1-3H3
InChIKeyJBYFITMLFURLMF-UHFFFAOYSA-N
MW259.42 g/mol
LogP4.69
Rot. Bonds5

About 2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine

2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine (PubChem CID 79330007) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine
PubChem CID79330007
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine
SMILESCCC(=Cc1csc2ccccc12)CNC(C)C
InChIInChI=1S/C16H21NS/c1-4-13(10-17-12(2)3)9-14-11-18-16-8-6-5-7-15(14)16/h5-9,11-12,17H,4,10H2,1-3H3
InChIKeyJBYFITMLFURLMF-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-2-(quinolin-4-ylmethylidene)butan-1-amine
CID 79330015
2-(1-benzothiophen-3-ylmethylidene)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79339843
3-(2,2-dibromoethenyl)-1-benzothiophene
CID 130532128
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 104772188
3-(1-benzothiophen-3-ylmethylidene)pentane-2,4-dione
CID 138594037
2-[(4-tert-butylphenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329105
2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79329580
(2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine
CID 113328651
N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine
CID 79328770
6-(1-benzothiophen-3-yl)-N-propan-2-ylhexan-1-amine
CID 65308616
N-[3-(1-benzothiophen-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]acetamide
CID 170808091

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine (CID 79330007) is 2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine is CCC(=Cc1csc2ccccc12)CNC(C)C.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine?
The InChIKey is JBYFITMLFURLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-13(10-17-12(2)3)9-14-11-18-16-8-6-5-7-15(14)16/h5-9,11-12,17H,4,10H2,1-3H3.
What are the key properties of 2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine?
2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylmethylidene)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79330007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).