N-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide

C9H18N4O — CID 89153018

IUPACN-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide
SMILES[H]/N=C(/N1CCOCC1)N(C)/N=C/CC
InChIInChI=1S/C9H18N4O/c1-3-4-11-12(2)9(10)13-5-7-14-8-6-13/h4,10H,3,5-8H2,1-2H3/b10-9+,11-4+
InChIKeyDRQMVVZTUWOJIS-LFXAUOBFSA-N
MW198.27 g/mol
LogP0.58
Rot. Bonds2

About N-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide

N-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide (PubChem CID 89153018) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is N-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide
PubChem CID89153018
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC NameN-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide
SMILES[H]/N=C(/N1CCOCC1)N(C)/N=C/CC
InChIInChI=1S/C9H18N4O/c1-3-4-11-12(2)9(10)13-5-7-14-8-6-13/h4,10H,3,5-8H2,1-2H3/b10-9+,11-4+
InChIKeyDRQMVVZTUWOJIS-LFXAUOBFSA-N
XLogP0.58
TPSA51.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide 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 N-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide?
The IUPAC name of N-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide (CID 89153018) is N-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide.
What is the SMILES notation for N-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide?
The canonical SMILES for N-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide is [H]/N=C(/N1CCOCC1)N(C)/N=C/CC.
What is the InChIKey of N-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide?
The InChIKey is DRQMVVZTUWOJIS-LFXAUOBFSA-N. The full InChI is InChI=1S/C9H18N4O/c1-3-4-11-12(2)9(10)13-5-7-14-8-6-13/h4,10H,3,5-8H2,1-2H3/b10-9+,11-4+.
What are the key properties of N-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide?
N-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide has a molecular weight of 198.27 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide is sourced from PubChem (CID 89153018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).