3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine

C17H27NS — CID 105157791

IUPAC3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine
SMILESCCCNC(CCC1CC1)C1CCCc2sccc21
InChIInChI=1S/C17H27NS/c1-2-11-18-16(9-8-13-6-7-13)14-4-3-5-17-15(14)10-12-19-17/h10,12-14,16,18H,2-9,11H2,1H3
InChIKeyXBZHHDLHIFWKCO-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.73
Rot. Bonds7

About 3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine

3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine (PubChem CID 105157791) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine
PubChem CID105157791
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine
SMILESCCCNC(CCC1CC1)C1CCCc2sccc21
InChIInChI=1S/C17H27NS/c1-2-11-18-16(9-8-13-6-7-13)14-4-3-5-17-15(14)10-12-19-17/h10,12-14,16,18H,2-9,11H2,1H3
InChIKeyXBZHHDLHIFWKCO-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)but-3-en-1-amine
CID 105108253
N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137544
N-[2-(4-bromothiophen-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine
CID 105139244
N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pentan-1-amine
CID 105125750
N-[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]propan-1-amine
CID 105159492
3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-propylpropan-1-amine
CID 105157909
N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150413
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-ol
CID 105083105
N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)oct-7-en-1-amine
CID 107011322
N-methyl-3-(oxolan-2-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine
CID 105156998
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
CID 55188345
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)hexan-1-ol
CID 105086077

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine (CID 105157791) is 3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine is CCCNC(CCC1CC1)C1CCCc2sccc21.
What is the InChIKey of 3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine?
The InChIKey is XBZHHDLHIFWKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-2-11-18-16(9-8-13-6-7-13)14-4-3-5-17-15(14)10-12-19-17/h10,12-14,16,18H,2-9,11H2,1H3.
What are the key properties of 3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine?
3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propan-1-amine is sourced from PubChem (CID 105157791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).