1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine

C20H33N — CID 81025663

IUPAC1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine
SMILESCCc1ccc(C2CC(C(C)(C)C)CCC2CNC)cc1
InChIInChI=1S/C20H33N/c1-6-15-7-9-16(10-8-15)19-13-18(20(2,3)4)12-11-17(19)14-21-5/h7-10,17-19,21H,6,11-14H2,1-5H3
InChIKeyKOLXZOJBTDQACB-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.01
Rot. Bonds4

About 1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine

1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine (PubChem CID 81025663) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine
PubChem CID81025663
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine
SMILESCCc1ccc(C2CC(C(C)(C)C)CCC2CNC)cc1
InChIInChI=1S/C20H33N/c1-6-15-7-9-16(10-8-15)19-13-18(20(2,3)4)12-11-17(19)14-21-5/h7-10,17-19,21H,6,11-14H2,1-5H3
InChIKeyKOLXZOJBTDQACB-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine (CID 81025663) is 1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine is CCc1ccc(C2CC(C(C)(C)C)CCC2CNC)cc1.
What is the InChIKey of 1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine?
The InChIKey is KOLXZOJBTDQACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-6-15-7-9-16(10-8-15)19-13-18(20(2,3)4)12-11-17(19)14-21-5/h7-10,17-19,21H,6,11-14H2,1-5H3.
What are the key properties of 1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine?
1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81025663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).