3-propan-2-yloxypropanimidamide

C6H14N2O — CID 24707088

IUPAC3-propan-2-yloxypropanimidamide
SMILES[H]/N=C(\N)CCOC(C)C
InChIInChI=1S/C6H14N2O/c1-5(2)9-4-3-6(7)8/h5H,3-4H2,1-2H3,(H3,7,8)
InChIKeyOGHRVLDNKQZMLB-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.74
Rot. Bonds4

About 3-propan-2-yloxypropanimidamide

3-propan-2-yloxypropanimidamide (PubChem CID 24707088) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-propan-2-yloxypropanimidamide.

Molecular Properties

Compound Name3-propan-2-yloxypropanimidamide
PubChem CID24707088
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name3-propan-2-yloxypropanimidamide
SMILES[H]/N=C(\N)CCOC(C)C
InChIInChI=1S/C6H14N2O/c1-5(2)9-4-3-6(7)8/h5H,3-4H2,1-2H3,(H3,7,8)
InChIKeyOGHRVLDNKQZMLB-UHFFFAOYSA-N
XLogP0.74
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-propan-2-yloxypropanimidamide 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-propan-2-yloxypropanimidamide?
The IUPAC name of 3-propan-2-yloxypropanimidamide (CID 24707088) is 3-propan-2-yloxypropanimidamide.
What is the SMILES notation for 3-propan-2-yloxypropanimidamide?
The canonical SMILES for 3-propan-2-yloxypropanimidamide is [H]/N=C(\N)CCOC(C)C.
What is the InChIKey of 3-propan-2-yloxypropanimidamide?
The InChIKey is OGHRVLDNKQZMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(2)9-4-3-6(7)8/h5H,3-4H2,1-2H3,(H3,7,8).
What are the key properties of 3-propan-2-yloxypropanimidamide?
3-propan-2-yloxypropanimidamide has a molecular weight of 130.19 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxypropanimidamide is sourced from PubChem (CID 24707088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).