6-(4-tert-butylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-amine

C17H34N2 — CID 79829023

IUPAC6-(4-tert-butylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-amine
SMILESCC(C)(C)C1CCN(C2CCCC(C)(C)C2N)CC1
InChIInChI=1S/C17H34N2/c1-16(2,3)13-8-11-19(12-9-13)14-7-6-10-17(4,5)15(14)18/h13-15H,6-12,18H2,1-5H3
InChIKeyIFLOALXPSPDWOY-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds1

About 6-(4-tert-butylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-amine

6-(4-tert-butylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79829023) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 6-(4-tert-butylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(4-tert-butylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-amine
PubChem CID79829023
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name6-(4-tert-butylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-amine
SMILESCC(C)(C)C1CCN(C2CCCC(C)(C)C2N)CC1
InChIInChI=1S/C17H34N2/c1-16(2,3)13-8-11-19(12-9-13)14-7-6-10-17(4,5)15(14)18/h13-15H,6-12,18H2,1-5H3
InChIKeyIFLOALXPSPDWOY-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 6-(4-tert-butylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(4-tert-butylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-amine (CID 79829023) is 6-(4-tert-butylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(4-tert-butylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(4-tert-butylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-amine is CC(C)(C)C1CCN(C2CCCC(C)(C)C2N)CC1.
What is the InChIKey of 6-(4-tert-butylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is IFLOALXPSPDWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-16(2,3)13-8-11-19(12-9-13)14-7-6-10-17(4,5)15(14)18/h13-15H,6-12,18H2,1-5H3.
What are the key properties of 6-(4-tert-butylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-amine?
6-(4-tert-butylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylpiperidin-1-yl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79829023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).