3-hydroxy-N'-methyl-N-propylidenepropanimidamide

C7H14N2O — CID 153400535

IUPAC3-hydroxy-N'-methyl-N-propylidenepropanimidamide
SMILESCC/C=N/C(CCO)=N/C
InChIInChI=1S/C7H14N2O/c1-3-5-9-7(8-2)4-6-10/h5,10H,3-4,6H2,1-2H3/b8-7+,9-5+
InChIKeyZVSFNXQCDKQODL-DMQCZMPNSA-N
MW142.20 g/mol
LogP0.88
Rot. Bonds3

About 3-hydroxy-N'-methyl-N-propylidenepropanimidamide

3-hydroxy-N'-methyl-N-propylidenepropanimidamide (PubChem CID 153400535) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-hydroxy-N'-methyl-N-propylidenepropanimidamide.

Molecular Properties

Compound Name3-hydroxy-N'-methyl-N-propylidenepropanimidamide
PubChem CID153400535
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-hydroxy-N'-methyl-N-propylidenepropanimidamide
SMILESCC/C=N/C(CCO)=N/C
InChIInChI=1S/C7H14N2O/c1-3-5-9-7(8-2)4-6-10/h5,10H,3-4,6H2,1-2H3/b8-7+,9-5+
InChIKeyZVSFNXQCDKQODL-DMQCZMPNSA-N
XLogP0.88
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.88
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N'-methyl-N-propylidenepropanimidamide?
The IUPAC name of 3-hydroxy-N'-methyl-N-propylidenepropanimidamide (CID 153400535) is 3-hydroxy-N'-methyl-N-propylidenepropanimidamide.
What is the SMILES notation for 3-hydroxy-N'-methyl-N-propylidenepropanimidamide?
The canonical SMILES for 3-hydroxy-N'-methyl-N-propylidenepropanimidamide is CC/C=N/C(CCO)=N/C.
What is the InChIKey of 3-hydroxy-N'-methyl-N-propylidenepropanimidamide?
The InChIKey is ZVSFNXQCDKQODL-DMQCZMPNSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-5-9-7(8-2)4-6-10/h5,10H,3-4,6H2,1-2H3/b8-7+,9-5+.
What are the key properties of 3-hydroxy-N'-methyl-N-propylidenepropanimidamide?
3-hydroxy-N'-methyl-N-propylidenepropanimidamide has a molecular weight of 142.20 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N'-methyl-N-propylidenepropanimidamide is sourced from PubChem (CID 153400535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).