2-(4-tert-butylpiperidin-1-yl)-2-cyclohexylethanamine

C17H34N2 — CID 55191514

IUPAC2-(4-tert-butylpiperidin-1-yl)-2-cyclohexylethanamine
SMILESCC(C)(C)C1CCN(C(CN)C2CCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-17(2,3)15-9-11-19(12-10-15)16(13-18)14-7-5-4-6-8-14/h14-16H,4-13,18H2,1-3H3
InChIKeyXUACUWMNQVNMNL-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds3

About 2-(4-tert-butylpiperidin-1-yl)-2-cyclohexylethanamine

2-(4-tert-butylpiperidin-1-yl)-2-cyclohexylethanamine (PubChem CID 55191514) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-2-cyclohexylethanamine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-2-cyclohexylethanamine
PubChem CID55191514
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-2-cyclohexylethanamine
SMILESCC(C)(C)C1CCN(C(CN)C2CCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-17(2,3)15-9-11-19(12-10-15)16(13-18)14-7-5-4-6-8-14/h14-16H,4-13,18H2,1-3H3
InChIKeyXUACUWMNQVNMNL-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-2-cyclohexylethanamine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-2-cyclohexylethanamine (CID 55191514) is 2-(4-tert-butylpiperidin-1-yl)-2-cyclohexylethanamine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-2-cyclohexylethanamine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-2-cyclohexylethanamine is CC(C)(C)C1CCN(C(CN)C2CCCCC2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-2-cyclohexylethanamine?
The InChIKey is XUACUWMNQVNMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-17(2,3)15-9-11-19(12-10-15)16(13-18)14-7-5-4-6-8-14/h14-16H,4-13,18H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-2-cyclohexylethanamine?
2-(4-tert-butylpiperidin-1-yl)-2-cyclohexylethanamine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-2-cyclohexylethanamine is sourced from PubChem (CID 55191514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).