3-(2-methylpropoxy)propanimidamide

C7H16N2O — CID 24699311

IUPAC3-(2-methylpropoxy)propanimidamide
SMILES[H]/N=C(\N)CCOCC(C)C
InChIInChI=1S/C7H16N2O/c1-6(2)5-10-4-3-7(8)9/h6H,3-5H2,1-2H3,(H3,8,9)
InChIKeyNTXLZZWBTZAFHS-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.99
Rot. Bonds5

About 3-(2-methylpropoxy)propanimidamide

3-(2-methylpropoxy)propanimidamide (PubChem CID 24699311) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 3-(2-methylpropoxy)propanimidamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)propanimidamide
PubChem CID24699311
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name3-(2-methylpropoxy)propanimidamide
SMILES[H]/N=C(\N)CCOCC(C)C
InChIInChI=1S/C7H16N2O/c1-6(2)5-10-4-3-7(8)9/h6H,3-5H2,1-2H3,(H3,8,9)
InChIKeyNTXLZZWBTZAFHS-UHFFFAOYSA-N
XLogP0.99
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-(2-methylpropoxy)propanimidamide 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 3-(2-methylpropoxy)propanimidamide?
The IUPAC name of 3-(2-methylpropoxy)propanimidamide (CID 24699311) is 3-(2-methylpropoxy)propanimidamide.
What is the SMILES notation for 3-(2-methylpropoxy)propanimidamide?
The canonical SMILES for 3-(2-methylpropoxy)propanimidamide is [H]/N=C(\N)CCOCC(C)C.
What is the InChIKey of 3-(2-methylpropoxy)propanimidamide?
The InChIKey is NTXLZZWBTZAFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(2)5-10-4-3-7(8)9/h6H,3-5H2,1-2H3,(H3,8,9).
What are the key properties of 3-(2-methylpropoxy)propanimidamide?
3-(2-methylpropoxy)propanimidamide has a molecular weight of 144.22 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)propanimidamide is sourced from PubChem (CID 24699311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).