2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine

C17H36N2O — CID 107395093

IUPAC2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(C)(CNCC(C)C)CN1CCCC(C)(OC)C1
InChIInChI=1S/C17H36N2O/c1-7-16(4,12-18-11-15(2)3)13-19-10-8-9-17(5,14-19)20-6/h15,18H,7-14H2,1-6H3
InChIKeyIBFSUKLYROKXAA-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds8

About 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine

2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 107395093) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID107395093
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(C)(CNCC(C)C)CN1CCCC(C)(OC)C1
InChIInChI=1S/C17H36N2O/c1-7-16(4,12-18-11-15(2)3)13-19-10-8-9-17(5,14-19)20-6/h15,18H,7-14H2,1-6H3
InChIKeyIBFSUKLYROKXAA-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 107395180
N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine
CID 107395092
2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine
CID 107395160
2-methyl-N-(2-methylpropyl)-2-(1,4-oxazepan-4-ylmethyl)butan-1-amine
CID 55142489
4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 107395195
2-methyl-2-[(4-methylazepan-1-yl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 63624510
3-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropane-1-thiol
CID 107396246
2-methyl-N-(2-methylpropyl)-2-(piperidin-1-ylmethyl)pentan-1-amine
CID 62264125
1-[2-methyl-2-[(2-methylpropylamino)methyl]butyl]pyrrolidine-3,4-diol
CID 106674168
2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol
CID 107395980
1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol
CID 107408780
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63620912

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 107395093) is 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine is CCC(C)(CNCC(C)C)CN1CCCC(C)(OC)C1.
What is the InChIKey of 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is IBFSUKLYROKXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-7-16(4,12-18-11-15(2)3)13-19-10-8-9-17(5,14-19)20-6/h15,18H,7-14H2,1-6H3.
What are the key properties of 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine?
2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 107395093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).