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

C16H32N2 — CID 62089503

IUPAC2-(4-tert-butylpiperidin-1-yl)-2-cyclopentylethanamine
SMILESCC(C)(C)C1CCN(C(CN)C2CCCC2)CC1
InChIInChI=1S/C16H32N2/c1-16(2,3)14-8-10-18(11-9-14)15(12-17)13-6-4-5-7-13/h13-15H,4-12,17H2,1-3H3
InChIKeyAVVAUIUFKDDFQK-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds3

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

2-(4-tert-butylpiperidin-1-yl)-2-cyclopentylethanamine (PubChem CID 62089503) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-2-cyclopentylethanamine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-2-cyclopentylethanamine
PubChem CID62089503
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-2-cyclopentylethanamine
SMILESCC(C)(C)C1CCN(C(CN)C2CCCC2)CC1
InChIInChI=1S/C16H32N2/c1-16(2,3)14-8-10-18(11-9-14)15(12-17)13-6-4-5-7-13/h13-15H,4-12,17H2,1-3H3
InChIKeyAVVAUIUFKDDFQK-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.26
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-cyclopentylethanamine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-2-cyclopentylethanamine (CID 62089503) is 2-(4-tert-butylpiperidin-1-yl)-2-cyclopentylethanamine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-2-cyclopentylethanamine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-2-cyclopentylethanamine is CC(C)(C)C1CCN(C(CN)C2CCCC2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-2-cyclopentylethanamine?
The InChIKey is AVVAUIUFKDDFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-16(2,3)14-8-10-18(11-9-14)15(12-17)13-6-4-5-7-13/h13-15H,4-12,17H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-2-cyclopentylethanamine?
2-(4-tert-butylpiperidin-1-yl)-2-cyclopentylethanamine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 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-cyclopentylethanamine is sourced from PubChem (CID 62089503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).