N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine

C18H36N2O — CID 63739412

IUPACN-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCCN1CC1(CNC(C)(C)C)CCCOC1
InChIInChI=1S/C18H36N2O/c1-5-16-9-6-7-11-20(16)14-18(10-8-12-21-15-18)13-19-17(2,3)4/h16,19H,5-15H2,1-4H3
InChIKeyWBONDXGJFOHJOY-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.44
Rot. Bonds5

About N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine

N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63739412) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID63739412
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCCN1CC1(CNC(C)(C)C)CCCOC1
InChIInChI=1S/C18H36N2O/c1-5-16-9-6-7-11-20(16)14-18(10-8-12-21-15-18)13-19-17(2,3)4/h16,19H,5-15H2,1-4H3
InChIKeyWBONDXGJFOHJOY-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62278171
[1-[[3-[(tert-butylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
CID 63740868
1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 104691941
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 55242233
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63741247
N-[[3-[(2-propylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 83045766
[1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-2-yl]methanol
CID 63740867
N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 104691962
N-[[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63741713
[1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol
CID 116638187
[3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol
CID 111976477
[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol
CID 62260834

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine (CID 63739412) is N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine is CCC1CCCCN1CC1(CNC(C)(C)C)CCCOC1.
What is the InChIKey of N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is WBONDXGJFOHJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-5-16-9-6-7-11-20(16)14-18(10-8-12-21-15-18)13-19-17(2,3)4/h16,19H,5-15H2,1-4H3.
What are the key properties of N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 296.50 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63739412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).