N-[[3-(3-methoxypropyl)-2,6-dihydro-1,3-oxazin-5-yl]methyl]cyclopropanamine

C12H22N2O2 — CID 118282096

IUPACN-[[3-(3-methoxypropyl)-2,6-dihydro-1,3-oxazin-5-yl]methyl]cyclopropanamine
SMILESCOCCCN1C=C(CNC2CC2)COC1
InChIInChI=1S/C12H22N2O2/c1-15-6-2-5-14-8-11(9-16-10-14)7-13-12-3-4-12/h8,12-13H,2-7,9-10H2,1H3
InChIKeyXUVMRDBFCUSWAK-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.95
Rot. Bonds7

About N-[[3-(3-methoxypropyl)-2,6-dihydro-1,3-oxazin-5-yl]methyl]cyclopropanamine

N-[[3-(3-methoxypropyl)-2,6-dihydro-1,3-oxazin-5-yl]methyl]cyclopropanamine (PubChem CID 118282096) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[[3-(3-methoxypropyl)-2,6-dihydro-1,3-oxazin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-methoxypropyl)-2,6-dihydro-1,3-oxazin-5-yl]methyl]cyclopropanamine
PubChem CID118282096
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[[3-(3-methoxypropyl)-2,6-dihydro-1,3-oxazin-5-yl]methyl]cyclopropanamine
SMILESCOCCCN1C=C(CNC2CC2)COC1
InChIInChI=1S/C12H22N2O2/c1-15-6-2-5-14-8-11(9-16-10-14)7-13-12-3-4-12/h8,12-13H,2-7,9-10H2,1H3
InChIKeyXUVMRDBFCUSWAK-UHFFFAOYSA-N
XLogP0.95
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.95
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-[[3-(3-methoxypropyl)-2,6-dihydro-1,3-oxazin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-methoxypropyl)-2,6-dihydro-1,3-oxazin-5-yl]methyl]cyclopropanamine (CID 118282096) is N-[[3-(3-methoxypropyl)-2,6-dihydro-1,3-oxazin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-methoxypropyl)-2,6-dihydro-1,3-oxazin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-methoxypropyl)-2,6-dihydro-1,3-oxazin-5-yl]methyl]cyclopropanamine is COCCCN1C=C(CNC2CC2)COC1.
What is the InChIKey of N-[[3-(3-methoxypropyl)-2,6-dihydro-1,3-oxazin-5-yl]methyl]cyclopropanamine?
The InChIKey is XUVMRDBFCUSWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-15-6-2-5-14-8-11(9-16-10-14)7-13-12-3-4-12/h8,12-13H,2-7,9-10H2,1H3.
What are the key properties of N-[[3-(3-methoxypropyl)-2,6-dihydro-1,3-oxazin-5-yl]methyl]cyclopropanamine?
N-[[3-(3-methoxypropyl)-2,6-dihydro-1,3-oxazin-5-yl]methyl]cyclopropanamine has a molecular weight of 226.32 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxypropyl)-2,6-dihydro-1,3-oxazin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 118282096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).