N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine

C17H36N2O — CID 62258109

IUPACN-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine
SMILESCCOC1CCN(CC(C)(CC)CNC(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-7-17(6,13-18-16(3,4)5)14-19-11-9-15(10-12-19)20-8-2/h15,18H,7-14H2,1-6H3
InChIKeyTUIJSUXKFQLMKR-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds7

About N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine

N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine (PubChem CID 62258109) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine
PubChem CID62258109
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine
SMILESCCOC1CCN(CC(C)(CC)CNC(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-7-17(6,13-18-16(3,4)5)14-19-11-9-15(10-12-19)20-8-2/h15,18H,7-14H2,1-6H3
InChIKeyTUIJSUXKFQLMKR-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethoxypiperidin-1-yl)methyl]-N-ethyl-2-methylbutan-1-amine
CID 62257768
N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine
CID 63494021
1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol
CID 106837835
3-(4-ethoxypiperidin-1-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62256195
N-tert-butyl-2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butan-1-amine
CID 62262259
2-[1-[2-methyl-2-(propylaminomethyl)butyl]piperidin-4-yl]oxyethanol
CID 82690867
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine
CID 62774634
N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 106588959
2-[(4-ethylpiperidin-1-yl)methyl]-N,2-dimethylbutan-1-amine
CID 62259874
N-tert-butyl-2-ethyl-2-methylbutan-1-amine
CID 62724057
2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64827067
N-ethyl-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 63973001

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine (CID 62258109) is N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine is CCOC1CCN(CC(C)(CC)CNC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine?
The InChIKey is TUIJSUXKFQLMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-7-17(6,13-18-16(3,4)5)14-19-11-9-15(10-12-19)20-8-2/h15,18H,7-14H2,1-6H3.
What are the key properties of N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine?
N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 62258109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).