1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine

C17H35N3O — CID 63739464

IUPAC1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine
SMILESCCNCC1(CN(C)C2CCN(CC)CC2)CCCOC1
InChIInChI=1S/C17H35N3O/c1-4-18-13-17(9-6-12-21-15-17)14-19(3)16-7-10-20(5-2)11-8-16/h16,18H,4-15H2,1-3H3
InChIKeyWTGWDOYASXMAKT-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.81
Rot. Bonds7

About 1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine

1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine (PubChem CID 63739464) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine
PubChem CID63739464
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine
SMILESCCNCC1(CN(C)C2CCN(CC)CC2)CCCOC1
InChIInChI=1S/C17H35N3O/c1-4-18-13-17(9-6-12-21-15-17)14-19(3)16-7-10-20(5-2)11-8-16/h16,18H,4-15H2,1-3H3
InChIKeyWTGWDOYASXMAKT-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-methylcyclopropanamine
CID 62262540
N-methyl-N-[[3-(propylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741709
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
CID 63741871
N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741708
N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 55242043
N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741534
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine
CID 55241656
N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclohexanamine
CID 62263421
N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine
CID 63740455
N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxan-3-yl]methyl]ethanamine
CID 63741015
N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine
CID 63740150
N-[[1-(bromomethyl)cyclohexyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 65002528

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine (CID 63739464) is 1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine is CCNCC1(CN(C)C2CCN(CC)CC2)CCCOC1.
What is the InChIKey of 1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine?
The InChIKey is WTGWDOYASXMAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-4-18-13-17(9-6-12-21-15-17)14-19(3)16-7-10-20(5-2)11-8-16/h16,18H,4-15H2,1-3H3.
What are the key properties of 1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine?
1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine has a molecular weight of 297.49 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 63739464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).