1-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine

C17H25NS — CID 79220653

IUPAC1-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CSc2ccccc21)C1CC1
InChIInChI=1S/C17H25NS/c1-2-11-18-16(13-7-8-13)10-9-14-12-19-17-6-4-3-5-15(14)17/h3-6,13-14,16,18H,2,7-12H2,1H3
InChIKeyGTRGSZYGEZEPBP-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.43
Rot. Bonds7

About 1-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine

1-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine (PubChem CID 79220653) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine
PubChem CID79220653
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name1-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCC1CSc2ccccc21)C1CC1
InChIInChI=1S/C17H25NS/c1-2-11-18-16(13-7-8-13)10-9-14-12-19-17-6-4-3-5-15(14)17/h3-6,13-14,16,18H,2,7-12H2,1H3
InChIKeyGTRGSZYGEZEPBP-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine
CID 105157909
N-[1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106798004
3-(3-chlorobutyl)-2,3-dihydro-1-benzothiophene
CID 79221601
N-[1-(2,3-dihydro-1-benzothiophen-3-yl)-2-propoxyethyl]propan-1-amine
CID 105165478
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylhex-4-yn-1-amine
CID 105181597
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)propan-2-amine
CID 79212606
1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine
CID 104771883
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 105150379
5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol
CID 79225995
1-cyclohexyl-3-phenoxy-N-propylpropan-1-amine
CID 60798313
2-cyclopentyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propan-2-ylpropan-1-amine
CID 115926687

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine (CID 79220653) is 1-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine is CCCNC(CCC1CSc2ccccc21)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine?
The InChIKey is GTRGSZYGEZEPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-2-11-18-16(13-7-8-13)10-9-14-12-19-17-6-4-3-5-15(14)17/h3-6,13-14,16,18H,2,7-12H2,1H3.
What are the key properties of 1-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine?
1-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 79220653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).