N-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine

C16H32N2O2 — CID 63740510

IUPACN-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCOCC2(C)C)CCCOC1
InChIInChI=1S/C16H32N2O2/c1-14(2)17-10-16(6-5-8-19-13-16)11-18-7-9-20-12-15(18,3)4/h14,17H,5-13H2,1-4H3
InChIKeyALHKMFWQBAXOEM-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.89
Rot. Bonds5

About N-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine

N-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine (PubChem CID 63740510) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine
PubChem CID63740510
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN2CCOCC2(C)C)CCCOC1
InChIInChI=1S/C16H32N2O2/c1-14(2)17-10-16(6-5-8-19-13-16)11-18-7-9-20-12-15(18,3)4/h14,17H,5-13H2,1-4H3
InChIKeyALHKMFWQBAXOEM-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine (CID 63740510) is N-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine is CC(C)NCC1(CN2CCOCC2(C)C)CCCOC1.
What is the InChIKey of N-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine?
The InChIKey is ALHKMFWQBAXOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-14(2)17-10-16(6-5-8-19-13-16)11-18-7-9-20-12-15(18,3)4/h14,17H,5-13H2,1-4H3.
What are the key properties of N-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine?
N-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine has a molecular weight of 284.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63740510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).