N-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine

C16H23NS — CID 79315230

IUPACN-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine
SMILESCCCCN(CC1CSc2ccccc21)C1CC1
InChIInChI=1S/C16H23NS/c1-2-3-10-17(14-8-9-14)11-13-12-18-16-7-5-4-6-15(13)16/h4-7,13-14H,2-3,8-12H2,1H3
InChIKeyNYTBAQLLHCFPFD-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.14
Rot. Bonds6

About N-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine

N-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine (PubChem CID 79315230) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is N-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine
PubChem CID79315230
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC NameN-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine
SMILESCCCCN(CC1CSc2ccccc21)C1CC1
InChIInChI=1S/C16H23NS/c1-2-3-10-17(14-8-9-14)11-13-12-18-16-7-5-4-6-15(13)16/h4-7,13-14H,2-3,8-12H2,1H3
InChIKeyNYTBAQLLHCFPFD-UHFFFAOYSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Benzo[b]thiophen-3-yl-cyclopropylmethyl)-dimethyl-amine
CID 22638783
Dipropyl-(4,5,6,7-tetrahydro-benzo[b]thiophen-6-yl)-amine
CID 10130933
Dipropyl-(4,5,6,7-tetrahydro-benzo[b]thiophen-5-yl)-amine
CID 10421679
2-(1-benzothiophen-7-yl)-N,N-dipropylcyclopropan-1-amine;hydrochloride
CID 45264133
1'-methyl-3-(2-methylphenyl)spiro[3H-1-benzothiophene-2,4'-piperidine]
CID 3078834
1-[(1R,2S)-2-cyclopropylcyclopropyl]-N-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 132319466
3-(2,3-dihydro-1-benzothiophen-6-yl)-N-ethyl-4-fluorobutan-2-amine
CID 168763924
3-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethyl-4-fluorobutan-2-amine
CID 168764200
3-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethyl-3-fluorohexan-2-amine
CID 169917653
3-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethyl-3-fluoroheptan-2-amine
CID 169917654
trans-(1R,2S)-2-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropan-1-amine
CID 171510189
(2S)-2-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropan-1-amine
CID 171510212

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine (CID 79315230) is N-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine is CCCCN(CC1CSc2ccccc21)C1CC1.
What is the InChIKey of N-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is NYTBAQLLHCFPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-2-3-10-17(14-8-9-14)11-13-12-18-16-7-5-4-6-15(13)16/h4-7,13-14H,2-3,8-12H2,1H3.
What are the key properties of N-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine?
N-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 261.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 79315230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).