1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine

C15H23NS — CID 106657196

IUPAC1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)C1=CCCCCC1
InChIInChI=1S/C15H23NS/c1-2-16-15(11-13-9-10-17-12-13)14-7-5-3-4-6-8-14/h7,9-10,12,15-16H,2-6,8,11H2,1H3
InChIKeyPCPPKDUOHIBIDA-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.16
Rot. Bonds5

About 1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine

1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine (PubChem CID 106657196) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine
PubChem CID106657196
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)C1=CCCCCC1
InChIInChI=1S/C15H23NS/c1-2-16-15(11-13-9-10-17-12-13)14-7-5-3-4-6-8-14/h7,9-10,12,15-16H,2-6,8,11H2,1H3
InChIKeyPCPPKDUOHIBIDA-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(cyclohexen-1-yl)-2-thiophen-3-ylethyl]hydrazine
CID 106650433
1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine
CID 106652787
1-(cyclohexen-1-yl)-N-ethyl-2-naphthalen-2-ylethanamine
CID 106657295
1-(cyclohexen-1-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 106652839
1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 62079589
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105179290
1-(cycloocten-1-yl)-N-ethylhexan-1-amine
CID 106656805
1-(cyclohepten-1-yl)-N-ethyl-3-pyridin-4-ylpropan-1-amine
CID 106657059
1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
CID 62080150
N-ethyl-1-(4-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078389
1-(cyclohepten-1-yl)-N-ethyl-2-phenylsulfanylethanamine
CID 106653192
1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657027

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine (CID 106657196) is 1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine?
The InChIKey is PCPPKDUOHIBIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-2-16-15(11-13-9-10-17-12-13)14-7-5-3-4-6-8-14/h7,9-10,12,15-16H,2-6,8,11H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine?
1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine has a molecular weight of 249.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-N-ethyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 106657196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).