1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine

C16H26ClNS — CID 115841681

IUPAC1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)s1)CC1CCCCCC1
InChIInChI=1S/C16H26ClNS/c1-2-18-14(12-15-9-10-16(17)19-15)11-13-7-5-3-4-6-8-13/h9-10,13-14,18H,2-8,11-12H2,1H3
InChIKeyKSTHWUAQWRHLOZ-UHFFFAOYSA-N
MW299.91 g/mol
LogP5.28
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine

1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine (PubChem CID 115841681) has the molecular formula C16H26ClNS and a molecular weight of 299.91 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine
PubChem CID115841681
Molecular FormulaC16H26ClNS
Molecular Weight299.91 g/mol
Exact Mass299.15
IUPAC Name1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1ccc(Cl)s1)CC1CCCCCC1
InChIInChI=1S/C16H26ClNS/c1-2-18-14(12-15-9-10-16(17)19-15)11-13-7-5-3-4-6-8-13/h9-10,13-14,18H,2-8,11-12H2,1H3
InChIKeyKSTHWUAQWRHLOZ-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.91
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103168454
1-(2-chlorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63415363
1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine
CID 115842424
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562
1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine
CID 105135378
1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63420165
1-cyclohexyl-N-ethyl-3-phenylpropan-2-amine
CID 55188118
2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine
CID 65398933
[1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170459
1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 65128398
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 55185869
1-cyclobutyl-3-(2,3-dichlorophenyl)-N-ethylpropan-2-amine
CID 107311774

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine (CID 115841681) is 1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine is CCNC(Cc1ccc(Cl)s1)CC1CCCCCC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine?
The InChIKey is KSTHWUAQWRHLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNS/c1-2-18-14(12-15-9-10-16(17)19-15)11-13-7-5-3-4-6-8-13/h9-10,13-14,18H,2-8,11-12H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine?
1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine has a molecular weight of 299.91 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine is sourced from PubChem (CID 115841681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).