N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine

C17H36N2O — CID 106588959

IUPACN-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CNC(C)(C)C)CN1CCCC(COC)C1
InChIInChI=1S/C17H36N2O/c1-7-17(5,13-18-16(2,3)4)14-19-10-8-9-15(11-19)12-20-6/h15,18H,7-14H2,1-6H3
InChIKeyFDDBHPWOWWVBND-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds7

About N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine

N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine (PubChem CID 106588959) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
PubChem CID106588959
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CNC(C)(C)C)CN1CCCC(COC)C1
InChIInChI=1S/C17H36N2O/c1-7-17(5,13-18-16(2,3)4)14-19-10-8-9-15(11-19)12-20-6/h15,18H,7-14H2,1-6H3
InChIKeyFDDBHPWOWWVBND-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butan-1-amine
CID 62262259
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylpentan-1-ol
CID 106589129
2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine
CID 106588987
[1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol
CID 62278559
N-tert-butyl-2-methyl-2-[(4-propylpiperidin-1-yl)methyl]butan-1-amine
CID 63494021
3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 106587324
N-ethyl-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 63973001
N-tert-butyl-2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylbutan-1-amine
CID 62258109
2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile
CID 106588532
methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106588642
N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 63973765
2-cyclopropyl-2-(ethylamino)-3-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106588673

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine (CID 106588959) is N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine is CCC(C)(CNC(C)(C)C)CN1CCCC(COC)C1.
What is the InChIKey of N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine?
The InChIKey is FDDBHPWOWWVBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-7-17(5,13-18-16(2,3)4)14-19-10-8-9-15(11-19)12-20-6/h15,18H,7-14H2,1-6H3.
What are the key properties of N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine?
N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 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-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 106588959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).