1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine

C8H16N2O — CID 167020326

IUPAC1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine
SMILES[H]/N=C(\CC)N1CCOC[C@H]1C
InChIInChI=1S/C8H16N2O/c1-3-8(9)10-4-5-11-6-7(10)2/h7,9H,3-6H2,1-2H3/b9-8+/t7-/m1/s1
InChIKeyCYVTZJIHEZMKHC-BDGYDECCSA-N
MW156.23 g/mol
LogP1.09
Rot. Bonds1

About 1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine

1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine (PubChem CID 167020326) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine.

Molecular Properties

Compound Name1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine
PubChem CID167020326
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine
SMILES[H]/N=C(\CC)N1CCOC[C@H]1C
InChIInChI=1S/C8H16N2O/c1-3-8(9)10-4-5-11-6-7(10)2/h7,9H,3-6H2,1-2H3/b9-8+/t7-/m1/s1
InChIKeyCYVTZJIHEZMKHC-BDGYDECCSA-N
XLogP1.09
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine?
The IUPAC name of 1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine (CID 167020326) is 1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine.
What is the SMILES notation for 1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine?
The canonical SMILES for 1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine is [H]/N=C(\CC)N1CCOC[C@H]1C.
What is the InChIKey of 1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine?
The InChIKey is CYVTZJIHEZMKHC-BDGYDECCSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-8(9)10-4-5-11-6-7(10)2/h7,9H,3-6H2,1-2H3/b9-8+/t7-/m1/s1.
What are the key properties of 1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine?
1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine has a molecular weight of 156.23 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine is sourced from PubChem (CID 167020326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).