N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine

C16H32N2O2 — CID 104960649

IUPACN-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2C[C@@H](C)O[C@@H](C)C2)CCOCC1
InChIInChI=1S/C16H32N2O2/c1-4-7-17-12-16(5-8-19-9-6-16)13-18-10-14(2)20-15(3)11-18/h14-15,17H,4-13H2,1-3H3/t14-,15+
InChIKeyDZKSJXSSWJLLKF-GASCZTMLSA-N
MW284.44 g/mol
LogP1.89
Rot. Bonds6

About N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine

N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine (PubChem CID 104960649) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine
PubChem CID104960649
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCCCNCC1(CN2C[C@@H](C)O[C@@H](C)C2)CCOCC1
InChIInChI=1S/C16H32N2O2/c1-4-7-17-12-16(5-8-19-9-6-16)13-18-10-14(2)20-15(3)11-18/h14-15,17H,4-13H2,1-3H3/t14-,15+
InChIKeyDZKSJXSSWJLLKF-GASCZTMLSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine (CID 104960649) is N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine is CCCNCC1(CN2C[C@@H](C)O[C@@H](C)C2)CCOCC1.
What is the InChIKey of N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine?
The InChIKey is DZKSJXSSWJLLKF-GASCZTMLSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-4-7-17-12-16(5-8-19-9-6-16)13-18-10-14(2)20-15(3)11-18/h14-15,17H,4-13H2,1-3H3/t14-,15+.
What are the key properties of N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine?
N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine has a molecular weight of 284.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 104960649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).