4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine

C17H29NS — CID 55188245

IUPAC4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCCc1ccc(CC2CC(C(C)(C)C)CCC2N)s1
InChIInChI=1S/C17H29NS/c1-5-14-7-8-15(19-14)11-12-10-13(17(2,3)4)6-9-16(12)18/h7-8,12-13,16H,5-6,9-11,18H2,1-4H3
InChIKeyWJYYKYGDRQDUJM-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.64
Rot. Bonds3

About 4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine

4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine (PubChem CID 55188245) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine
PubChem CID55188245
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCCc1ccc(CC2CC(C(C)(C)C)CCC2N)s1
InChIInChI=1S/C17H29NS/c1-5-14-7-8-15(19-14)11-12-10-13(17(2,3)4)6-9-16(12)18/h7-8,12-13,16H,5-6,9-11,18H2,1-4H3
InChIKeyWJYYKYGDRQDUJM-UHFFFAOYSA-N
XLogP4.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine (CID 55188245) is 4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine is CCc1ccc(CC2CC(C(C)(C)C)CCC2N)s1.
What is the InChIKey of 4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is WJYYKYGDRQDUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-5-14-7-8-15(19-14)11-12-10-13(17(2,3)4)6-9-16(12)18/h7-8,12-13,16H,5-6,9-11,18H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine?
4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 279.49 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 55188245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).