1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine

C17H30ClNS — CID 115846003

IUPAC1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
SMILESCCCCCCCCCCC(NCC)c1sccc1Cl
InChIInChI=1S/C17H30ClNS/c1-3-5-6-7-8-9-10-11-12-16(19-4-2)17-15(18)13-14-20-17/h13-14,16,19H,3-12H2,1-2H3
InChIKeyUMUROFZAHHOZPM-UHFFFAOYSA-N
MW315.95 g/mol
LogP6.58
Rot. Bonds12

About 1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine

1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine (PubChem CID 115846003) has the molecular formula C17H30ClNS and a molecular weight of 315.95 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
PubChem CID115846003
Molecular FormulaC17H30ClNS
Molecular Weight315.95 g/mol
Exact Mass315.18
IUPAC Name1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
SMILESCCCCCCCCCCC(NCC)c1sccc1Cl
InChIInChI=1S/C17H30ClNS/c1-3-5-6-7-8-9-10-11-12-16(19-4-2)17-15(18)13-14-20-17/h13-14,16,19H,3-12H2,1-2H3
InChIKeyUMUROFZAHHOZPM-UHFFFAOYSA-N
XLogP6.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.95
LogP ≤ 56.58
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-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601
1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine
CID 115846498
1-(3-chlorothiophen-2-yl)nonylhydrazine
CID 105294361
N-ethyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448579
1-(3-chlorothiophen-2-yl)-4-ethoxy-N-ethylbutan-1-amine
CID 107361923
1-(3-bromothiophen-2-yl)-N-ethylundecan-1-amine
CID 115845930
1-(3-chlorothiophen-2-yl)-N-ethyl-3-methoxypropan-1-amine
CID 107359701
1-(3-chlorothiophen-2-yl)tridecan-1-ol
CID 115789521
1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 107359774
2-(1-bromoheptyl)-3-chlorothiophene
CID 114753686
1-(3-chlorothiophen-2-yl)heptan-1-amine
CID 114752614
1-(3-chlorothiophen-2-yl)hexan-1-ol
CID 80530393

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine (CID 115846003) is 1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine is CCCCCCCCCCC(NCC)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine?
The InChIKey is UMUROFZAHHOZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClNS/c1-3-5-6-7-8-9-10-11-12-16(19-4-2)17-15(18)13-14-20-17/h13-14,16,19H,3-12H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine?
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine has a molecular weight of 315.95 g/mol, XLogP of 6.58, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine is sourced from PubChem (CID 115846003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).