2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine

C17H36N2O — CID 107395160

IUPAC2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)CN1CCCC(C)(OC)C1
InChIInChI=1S/C17H36N2O/c1-6-11-18-13-17(7-2,8-3)15-19-12-9-10-16(4,14-19)20-5/h18H,6-15H2,1-5H3
InChIKeyOOTOIEYEEUHKBC-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds9

About 2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine

2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine (PubChem CID 107395160) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine
PubChem CID107395160
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine
SMILESCCCNCC(CC)(CC)CN1CCCC(C)(OC)C1
InChIInChI=1S/C17H36N2O/c1-6-11-18-13-17(7-2,8-3)15-19-12-9-10-16(4,14-19)20-5/h18H,6-15H2,1-5H3
InChIKeyOOTOIEYEEUHKBC-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine
CID 107395092
4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 107395195
2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 107395093
2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 107395180
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 107394663
2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine
CID 106588987
3-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropane-1-thiol
CID 107396246
2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
CID 107394710
1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine
CID 107391840
1-[1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cycloheptyl]-N-methylmethanamine
CID 107395224
2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 107395999

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine (CID 107395160) is 2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine is CCCNCC(CC)(CC)CN1CCCC(C)(OC)C1.
What is the InChIKey of 2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine?
The InChIKey is OOTOIEYEEUHKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-11-18-13-17(7-2,8-3)15-19-12-9-10-16(4,14-19)20-5/h18H,6-15H2,1-5H3.
What are the key properties of 2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine?
2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine is sourced from PubChem (CID 107395160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).