N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine

C16H30N2O2 — CID 62391481

IUPACN-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCC1CN(CC2(CNC3CC3)CCOCC2)C(C)CO1
InChIInChI=1S/C16H30N2O2/c1-13-10-20-14(2)9-18(13)12-16(5-7-19-8-6-16)11-17-15-3-4-15/h13-15,17H,3-12H2,1-2H3
InChIKeyXSJUIMGSEKRAAO-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.64
Rot. Bonds5

About N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine

N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62391481) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID62391481
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCC1CN(CC2(CNC3CC3)CCOCC2)C(C)CO1
InChIInChI=1S/C16H30N2O2/c1-13-10-20-14(2)9-18(13)12-16(5-7-19-8-6-16)11-17-15-3-4-15/h13-15,17H,3-12H2,1-2H3
InChIKeyXSJUIMGSEKRAAO-UHFFFAOYSA-N
XLogP1.64
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine (CID 62391481) is N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine is CC1CN(CC2(CNC3CC3)CCOCC2)C(C)CO1.
What is the InChIKey of N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is XSJUIMGSEKRAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13-10-20-14(2)9-18(13)12-16(5-7-19-8-6-16)11-17-15-3-4-15/h13-15,17H,3-12H2,1-2H3.
What are the key properties of N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 282.43 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,5-dimethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62391481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).