N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine

C14H21NS — CID 79213710

IUPACN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
SMILESCCCCCNCC1Cc2ccccc2S1
InChIInChI=1S/C14H21NS/c1-2-3-6-9-15-11-13-10-12-7-4-5-8-14(12)16-13/h4-5,7-8,13,15H,2-3,6,9-11H2,1H3
InChIKeySULJFASYPPDIAR-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.48
Rot. Bonds6

About N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine (PubChem CID 79213710) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
PubChem CID79213710
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
SMILESCCCCCNCC1Cc2ccccc2S1
InChIInChI=1S/C14H21NS/c1-2-3-6-9-15-11-13-10-12-7-4-5-8-14(12)16-13/h4-5,7-8,13,15H,2-3,6,9-11H2,1H3
InChIKeySULJFASYPPDIAR-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.48
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'-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,3-diamine
CID 79221945
4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)butanamide
CID 79214063
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045670
5-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-1-amine
CID 114150798
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methylcyclopentyl)methanamine
CID 107412803
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine
CID 79223008
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CID 106261413
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
4-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylbutan-1-amine
CID 79224330
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylbut-2-en-1-amine
CID 106188620
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-prop-2-enoxyethanamine
CID 114264703
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106045174

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine (CID 79213710) is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine is CCCCCNCC1Cc2ccccc2S1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine?
The InChIKey is SULJFASYPPDIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-2-3-6-9-15-11-13-10-12-7-4-5-8-14(12)16-13/h4-5,7-8,13,15H,2-3,6,9-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine?
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine has a molecular weight of 235.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine is sourced from PubChem (CID 79213710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).