[4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine

C16H26ClNS — CID 81011481

IUPAC[4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)C(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C16H26ClNS/c1-16(2,3)13-5-4-11(10-18)12(8-13)9-14-6-7-15(17)19-14/h6-7,11-13H,4-5,8-10,18H2,1-3H3
InChIKeyGOBWQLUJKQYVRB-UHFFFAOYSA-N
MW299.91 g/mol
LogP4.98
Rot. Bonds3

About [4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine

[4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine (PubChem CID 81011481) has the molecular formula C16H26ClNS and a molecular weight of 299.91 g/mol. Its IUPAC name is [4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine
PubChem CID81011481
Molecular FormulaC16H26ClNS
Molecular Weight299.91 g/mol
Exact Mass299.15
IUPAC Name[4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)C(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C16H26ClNS/c1-16(2,3)13-5-4-11(10-18)12(8-13)9-14-6-7-15(17)19-14/h6-7,11-13H,4-5,8-10,18H2,1-3H3
InChIKeyGOBWQLUJKQYVRB-UHFFFAOYSA-N
XLogP4.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.91
LogP ≤ 54.98
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-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine (CID 81011481) is [4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine is CC(C)(C)C1CCC(CN)C(Cc2ccc(Cl)s2)C1.
What is the InChIKey of [4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine?
The InChIKey is GOBWQLUJKQYVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNS/c1-16(2,3)13-5-4-11(10-18)12(8-13)9-14-6-7-15(17)19-14/h6-7,11-13H,4-5,8-10,18H2,1-3H3.
What are the key properties of [4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine?
[4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine has a molecular weight of 299.91 g/mol, XLogP of 4.98, 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-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 81011481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).