methyl 3-(3-imino-3-methoxypropoxy)propanimidate

C8H16N2O3 — CID 23435000

IUPACmethyl 3-(3-imino-3-methoxypropoxy)propanimidate
SMILES[H]/N=C(/CCOCC/C(=N/[H])OC)OC
InChIInChI=1S/C8H16N2O3/c1-11-7(9)3-5-13-6-4-8(10)12-2/h9-10H,3-6H2,1-2H3/b9-7-,10-8-
InChIKeyDRJCXBUNHZPLSI-XOHWUJONSA-N
MW188.23 g/mol
LogP1.03
Rot. Bonds6

About methyl 3-(3-imino-3-methoxypropoxy)propanimidate

methyl 3-(3-imino-3-methoxypropoxy)propanimidate (PubChem CID 23435000) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl 3-(3-imino-3-methoxypropoxy)propanimidate.

Molecular Properties

Compound Namemethyl 3-(3-imino-3-methoxypropoxy)propanimidate
PubChem CID23435000
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namemethyl 3-(3-imino-3-methoxypropoxy)propanimidate
SMILES[H]/N=C(/CCOCC/C(=N/[H])OC)OC
InChIInChI=1S/C8H16N2O3/c1-11-7(9)3-5-13-6-4-8(10)12-2/h9-10H,3-6H2,1-2H3/b9-7-,10-8-
InChIKeyDRJCXBUNHZPLSI-XOHWUJONSA-N
XLogP1.03
TPSA75.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-(3-imino-3-methoxypropoxy)propanimidate 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 methyl 3-(3-imino-3-methoxypropoxy)propanimidate?
The IUPAC name of methyl 3-(3-imino-3-methoxypropoxy)propanimidate (CID 23435000) is methyl 3-(3-imino-3-methoxypropoxy)propanimidate.
What is the SMILES notation for methyl 3-(3-imino-3-methoxypropoxy)propanimidate?
The canonical SMILES for methyl 3-(3-imino-3-methoxypropoxy)propanimidate is [H]/N=C(/CCOCC/C(=N/[H])OC)OC.
What is the InChIKey of methyl 3-(3-imino-3-methoxypropoxy)propanimidate?
The InChIKey is DRJCXBUNHZPLSI-XOHWUJONSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-11-7(9)3-5-13-6-4-8(10)12-2/h9-10H,3-6H2,1-2H3/b9-7-,10-8-.
What are the key properties of methyl 3-(3-imino-3-methoxypropoxy)propanimidate?
methyl 3-(3-imino-3-methoxypropoxy)propanimidate has a molecular weight of 188.23 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-imino-3-methoxypropoxy)propanimidate is sourced from PubChem (CID 23435000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).