1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine

C19H29NS — CID 115835557

IUPAC1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine
SMILESCCCCCCCCC(NCC)c1cc2ccccc2s1
InChIInChI=1S/C19H29NS/c1-3-5-6-7-8-9-13-17(20-4-2)19-15-16-12-10-11-14-18(16)21-19/h10-12,14-15,17,20H,3-9,13H2,1-2H3
InChIKeyMOLKPEYGWBNATD-UHFFFAOYSA-N
MW303.51 g/mol
LogP6.30
Rot. Bonds10

About 1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine

1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine (PubChem CID 115835557) has the molecular formula C19H29NS and a molecular weight of 303.51 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine
PubChem CID115835557
Molecular FormulaC19H29NS
Molecular Weight303.51 g/mol
Exact Mass303.20
IUPAC Name1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine
SMILESCCCCCCCCC(NCC)c1cc2ccccc2s1
InChIInChI=1S/C19H29NS/c1-3-5-6-7-8-9-13-17(20-4-2)19-15-16-12-10-11-14-18(16)21-19/h10-12,14-15,17,20H,3-9,13H2,1-2H3
InChIKeyMOLKPEYGWBNATD-UHFFFAOYSA-N
XLogP6.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.51
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzothiophen-2-yl)nonan-1-ol
CID 115784008
1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine
CID 115778262
1-(1-benzothiophen-2-yl)-N-propylpropan-1-amine
CID 114980128
N-ethyl-1-thiophen-2-ylundecan-1-amine
CID 55186605
1-(1-benzothiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 63527754
1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine
CID 115863688
N-ethyl-1-[2-[1-(ethylamino)tridecyl]phenyl]tridecan-1-amine
CID 57251881
1-(5-chloro-4-methylthiophen-2-yl)-N-ethyldecan-1-amine
CID 102764036
1-(1-benzothiophen-2-yl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 115847850
3-(1-benzothiophen-2-yl)octanoic acid
CID 66764559
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyloctan-1-amine
CID 115832398
1-(6-fluoro-1-benzothiophen-2-yl)nonylhydrazine
CID 105294406

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine (CID 115835557) is 1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine is CCCCCCCCC(NCC)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine?
The InChIKey is MOLKPEYGWBNATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NS/c1-3-5-6-7-8-9-13-17(20-4-2)19-15-16-12-10-11-14-18(16)21-19/h10-12,14-15,17,20H,3-9,13H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine?
1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-ethylnonan-1-amine is sourced from PubChem (CID 115835557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).