N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine

C17H36N2 — CID 83054505

IUPACN-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)N1CCC(C)(CC)CC1
InChIInChI=1S/C17H36N2/c1-7-9-15(14-18-16(3,4)5)19-12-10-17(6,8-2)11-13-19/h15,18H,7-14H2,1-6H3
InChIKeyHEDXCLDKQXZFLB-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds6

About N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine

N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine (PubChem CID 83054505) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
PubChem CID83054505
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)N1CCC(C)(CC)CC1
InChIInChI=1S/C17H36N2/c1-7-9-15(14-18-16(3,4)5)19-12-10-17(6,8-2)11-13-19/h15,18H,7-14H2,1-6H3
InChIKeyHEDXCLDKQXZFLB-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine (CID 83054505) is N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine is CCCC(CNC(C)(C)C)N1CCC(C)(CC)CC1.
What is the InChIKey of N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine?
The InChIKey is HEDXCLDKQXZFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-9-15(14-18-16(3,4)5)19-12-10-17(6,8-2)11-13-19/h15,18H,7-14H2,1-6H3.
What are the key properties of N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine?
N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-ethyl-4-methylpiperidin-1-yl)pentan-1-amine is sourced from PubChem (CID 83054505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).