1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine

C17H29NS — CID 114457765

IUPAC1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine
SMILESCC(C)(C)c1ccc(C(N)CC2CCCCCC2)s1
InChIInChI=1S/C17H29NS/c1-17(2,3)16-11-10-15(19-16)14(18)12-13-8-6-4-5-7-9-13/h10-11,13-14H,4-9,12,18H2,1-3H3
InChIKeyOZBOUSVLYWPCAS-UHFFFAOYSA-N
MW279.49 g/mol
LogP5.41
Rot. Bonds3

About 1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine

1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine (PubChem CID 114457765) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine.

Molecular Properties

Compound Name1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine
PubChem CID114457765
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine
SMILESCC(C)(C)c1ccc(C(N)CC2CCCCCC2)s1
InChIInChI=1S/C17H29NS/c1-17(2,3)16-11-10-15(19-16)14(18)12-13-8-6-4-5-7-9-13/h10-11,13-14H,4-9,12,18H2,1-3H3
InChIKeyOZBOUSVLYWPCAS-UHFFFAOYSA-N
XLogP5.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.49
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 114457478
2-cyclohexyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 43103045
1-(4-tert-butylphenyl)-2-cycloheptylethanamine
CID 114457473
1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine
CID 115863512
2-cyclopentyl-1-thiophen-2-ylethanamine
CID 43823389
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
2-cyclohexyl-1-(1,2-thiazol-5-yl)ethanamine
CID 130943558
1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine
CID 105135537
2-cycloheptyl-1-phenylethanamine
CID 21261900
2-cycloheptyl-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 114457744
2-cyclohexyl-1-(4-iodophenyl)ethanamine
CID 115841897
2-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)ethanamine
CID 81155881

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine?
The IUPAC name of 1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine (CID 114457765) is 1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine.
What is the SMILES notation for 1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine?
The canonical SMILES for 1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine is CC(C)(C)c1ccc(C(N)CC2CCCCCC2)s1.
What is the InChIKey of 1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine?
The InChIKey is OZBOUSVLYWPCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-17(2,3)16-11-10-15(19-16)14(18)12-13-8-6-4-5-7-9-13/h10-11,13-14H,4-9,12,18H2,1-3H3.
What are the key properties of 1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine?
1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine has a molecular weight of 279.49 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine is sourced from PubChem (CID 114457765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).