N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

C17H26N2S — CID 79223012

IUPACN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCC1Cc2ccccc2S1)CN1CCCC1
InChIInChI=1S/C17H26N2S/c1-14(13-19-8-4-5-9-19)11-18-12-16-10-15-6-2-3-7-17(15)20-16/h2-3,6-7,14,16,18H,4-5,8-13H2,1H3
InChIKeyDNFXZVVFPJAXDW-UHFFFAOYSA-N
MW290.48 g/mol
LogP3.02
Rot. Bonds6

About N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79223012) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID79223012
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCC1Cc2ccccc2S1)CN1CCCC1
InChIInChI=1S/C17H26N2S/c1-14(13-19-8-4-5-9-19)11-18-12-16-10-15-6-2-3-7-17(15)20-16/h2-3,6-7,14,16,18H,4-5,8-13H2,1H3
InChIKeyDNFXZVVFPJAXDW-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methoxy-2-methylpropan-1-amine
CID 79223006
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-N-propan-2-ylacetamide
CID 79214054
1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol
CID 107152561
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
2-methyl-3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63770721
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 79222856
4-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethyl-2-methylbutan-1-amine
CID 79224568
5-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-1-amine
CID 114150798
4-(2,3-dihydro-1-benzothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 79224662
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
CID 79213710
(2S)-2-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,2-diamine
CID 104867546

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (CID 79223012) is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is CC(CNCC1Cc2ccccc2S1)CN1CCCC1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is DNFXZVVFPJAXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-14(13-19-8-4-5-9-19)11-18-12-16-10-15-6-2-3-7-17(15)20-16/h2-3,6-7,14,16,18H,4-5,8-13H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 290.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79223012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).