N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine

C18H36N2O — CID 62392730

IUPACN-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCN(CC2(CNC(C)(C)C)CCOCC2)CC1
InChIInChI=1S/C18H36N2O/c1-5-16-6-10-20(11-7-16)15-18(8-12-21-13-9-18)14-19-17(2,3)4/h16,19H,5-15H2,1-4H3
InChIKeyMYQBIDXEBVTEGT-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds5

About N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine

N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62392730) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62392730
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCN(CC2(CNC(C)(C)C)CCOCC2)CC1
InChIInChI=1S/C18H36N2O/c1-5-16-6-10-20(11-7-16)15-18(8-12-21-13-9-18)14-19-17(2,3)4/h16,19H,5-15H2,1-4H3
InChIKeyMYQBIDXEBVTEGT-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 62392876
2-methyl-N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 62905055
1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837816
N-methyl-1-[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 62391983
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62278171
N-[[4-[(4-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391631
N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63741713
N-[[3-[(4-propylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62258098
N,N-dimethyl-1-[[4-(methylaminomethyl)oxan-4-yl]methyl]piperidin-4-amine
CID 55066091
N-[[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 62390425
N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 103502607
N-[[4-[(3-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391828

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine (CID 62392730) is N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine is CCC1CCN(CC2(CNC(C)(C)C)CCOCC2)CC1.
What is the InChIKey of N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is MYQBIDXEBVTEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-5-16-6-10-20(11-7-16)15-18(8-12-21-13-9-18)14-19-17(2,3)4/h16,19H,5-15H2,1-4H3.
What are the key properties of N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62392730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).