3-(3-methoxypropoxy)propanimidamide

C7H16N2O2 — CID 60917722

IUPAC3-(3-methoxypropoxy)propanimidamide
SMILES[H]/N=C(\N)CCOCCCOC
InChIInChI=1S/C7H16N2O2/c1-10-4-2-5-11-6-3-7(8)9/h2-6H2,1H3,(H3,8,9)
InChIKeyOTAVMPKMEGKACZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.37
Rot. Bonds7

About 3-(3-methoxypropoxy)propanimidamide

3-(3-methoxypropoxy)propanimidamide (PubChem CID 60917722) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)propanimidamide.

Molecular Properties

Compound Name3-(3-methoxypropoxy)propanimidamide
PubChem CID60917722
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name3-(3-methoxypropoxy)propanimidamide
SMILES[H]/N=C(\N)CCOCCCOC
InChIInChI=1S/C7H16N2O2/c1-10-4-2-5-11-6-3-7(8)9/h2-6H2,1H3,(H3,8,9)
InChIKeyOTAVMPKMEGKACZ-UHFFFAOYSA-N
XLogP0.37
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxy)propanimidamide?
The IUPAC name of 3-(3-methoxypropoxy)propanimidamide (CID 60917722) is 3-(3-methoxypropoxy)propanimidamide.
What is the SMILES notation for 3-(3-methoxypropoxy)propanimidamide?
The canonical SMILES for 3-(3-methoxypropoxy)propanimidamide is [H]/N=C(\N)CCOCCCOC.
What is the InChIKey of 3-(3-methoxypropoxy)propanimidamide?
The InChIKey is OTAVMPKMEGKACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-10-4-2-5-11-6-3-7(8)9/h2-6H2,1H3,(H3,8,9).
What are the key properties of 3-(3-methoxypropoxy)propanimidamide?
3-(3-methoxypropoxy)propanimidamide has a molecular weight of 160.22 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)propanimidamide is sourced from PubChem (CID 60917722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).