N-(4-methylpentyl)-1-benzothiophen-5-amine

C14H19NS — CID 83156262

IUPACN-(4-methylpentyl)-1-benzothiophen-5-amine
SMILESCC(C)CCCNc1ccc2sccc2c1
InChIInChI=1S/C14H19NS/c1-11(2)4-3-8-15-13-5-6-14-12(10-13)7-9-16-14/h5-7,9-11,15H,3-4,8H2,1-2H3
InChIKeyZLQNMEOCVDIOHD-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.75
Rot. Bonds5

About N-(4-methylpentyl)-1-benzothiophen-5-amine

N-(4-methylpentyl)-1-benzothiophen-5-amine (PubChem CID 83156262) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(4-methylpentyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)-1-benzothiophen-5-amine
PubChem CID83156262
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC NameN-(4-methylpentyl)-1-benzothiophen-5-amine
SMILESCC(C)CCCNc1ccc2sccc2c1
InChIInChI=1S/C14H19NS/c1-11(2)4-3-8-15-13-5-6-14-12(10-13)7-9-16-14/h5-7,9-11,15H,3-4,8H2,1-2H3
InChIKeyZLQNMEOCVDIOHD-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzothiophen-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114525182
2-(1-benzothiophen-5-ylamino)-N-(3-methylbutyl)acetamide
CID 61062685
(2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol
CID 106932216
N-(3-phenylpropyl)-1-benzothiophen-5-amine
CID 43687656
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine
CID 112589195
6-(1-benzothiophen-5-ylamino)hexanoic acid
CID 65476249
N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine
CID 65475667
N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine
CID 65475860
N-[2-(2-methoxyethoxy)ethyl]-1-benzothiophen-5-amine
CID 65473732
3,4-difluoro-N-(4-methylpentyl)aniline
CID 83155387
2-(1-benzothiophen-5-ylamino)ethanesulfonamide
CID 114385062
N-hex-5-en-2-yl-1-benzothiophen-5-amine
CID 104655467

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-1-benzothiophen-5-amine?
The IUPAC name of N-(4-methylpentyl)-1-benzothiophen-5-amine (CID 83156262) is N-(4-methylpentyl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(4-methylpentyl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(4-methylpentyl)-1-benzothiophen-5-amine is CC(C)CCCNc1ccc2sccc2c1.
What is the InChIKey of N-(4-methylpentyl)-1-benzothiophen-5-amine?
The InChIKey is ZLQNMEOCVDIOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-11(2)4-3-8-15-13-5-6-14-12(10-13)7-9-16-14/h5-7,9-11,15H,3-4,8H2,1-2H3.
What are the key properties of N-(4-methylpentyl)-1-benzothiophen-5-amine?
N-(4-methylpentyl)-1-benzothiophen-5-amine has a molecular weight of 233.38 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 83156262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).