N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine

C17H26N2S — CID 79220623

IUPACN'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCC1CSc2ccccc21)C1CCCC1
InChIInChI=1S/C17H26N2S/c1-19(15-6-2-3-7-15)11-10-18-12-14-13-20-17-9-5-4-8-16(14)17/h4-5,8-9,14-15,18H,2-3,6-7,10-13H2,1H3
InChIKeyGDYBXKNERDFYCY-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.34
Rot. Bonds6

About N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine

N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 79220623) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine
PubChem CID79220623
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC NameN'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCC1CSc2ccccc21)C1CCCC1
InChIInChI=1S/C17H26N2S/c1-19(15-6-2-3-7-15)11-10-18-12-14-13-20-17-9-5-4-8-16(14)17/h4-5,8-9,14-15,18H,2-3,6-7,10-13H2,1H3
InChIKeyGDYBXKNERDFYCY-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
CID 113478802
1-cyclopropyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)methanamine
CID 79213522
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-5-methylhexan-1-amine
CID 113287462
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515366
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-1-amine
CID 79227011
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methylethanamine
CID 79226851
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethoxymethanamine
CID 79221788
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine
CID 79320051
1-(2,3-dihydro-1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 79220843
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(oxan-2-yl)methanamine
CID 79221459
2-(2-chloroethoxy)-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)ethanamine
CID 79227088

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine (CID 79220623) is N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine is CN(CCNCC1CSc2ccccc21)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is GDYBXKNERDFYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-19(15-6-2-3-7-15)11-10-18-12-14-13-20-17-9-5-4-8-16(14)17/h4-5,8-9,14-15,18H,2-3,6-7,10-13H2,1H3.
What are the key properties of N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine?
N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 290.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 79220623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).