2,2-dimethylpropane;3-[(2-methylpropan-2-yl)oxy]propanimidamide;propanimidamide

C15H36N4O — CID 163982726

IUPAC2,2-dimethylpropane;3-[(2-methylpropan-2-yl)oxy]propanimidamide;propanimidamide
SMILESCC(C)(C)C.[H]/N=C(/N)CC.[H]/N=C(\N)CCOC(C)(C)C
InChIInChI=1S/C7H16N2O.C5H12.C3H8N2/c1-7(2,3)10-5-4-6(8)9;1-5(2,3)4;1-2-3(4)5/h4-5H2,1-3H3,(H3,8,9);1-4H3;2H2,1H3,(H3,4,5)
InChIKeySZUVQYFJKCSHAK-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.51
Rot. Bonds4

About 2,2-dimethylpropane;3-[(2-methylpropan-2-yl)oxy]propanimidamide;propanimidamide

2,2-dimethylpropane;3-[(2-methylpropan-2-yl)oxy]propanimidamide;propanimidamide (PubChem CID 163982726) has the molecular formula C15H36N4O and a molecular weight of 288.48 g/mol. Its IUPAC name is 2,2-dimethylpropane;3-[(2-methylpropan-2-yl)oxy]propanimidamide;propanimidamide.

Molecular Properties

Compound Name2,2-dimethylpropane;3-[(2-methylpropan-2-yl)oxy]propanimidamide;propanimidamide
PubChem CID163982726
Molecular FormulaC15H36N4O
Molecular Weight288.48 g/mol
Exact Mass288.29
IUPAC Name2,2-dimethylpropane;3-[(2-methylpropan-2-yl)oxy]propanimidamide;propanimidamide
SMILESCC(C)(C)C.[H]/N=C(/N)CC.[H]/N=C(\N)CCOC(C)(C)C
InChIInChI=1S/C7H16N2O.C5H12.C3H8N2/c1-7(2,3)10-5-4-6(8)9;1-5(2,3)4;1-2-3(4)5/h4-5H2,1-3H3,(H3,8,9);1-4H3;2H2,1H3,(H3,4,5)
InChIKeySZUVQYFJKCSHAK-UHFFFAOYSA-N
XLogP3.51
TPSA108.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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 2,2-dimethylpropane;3-[(2-methylpropan-2-yl)oxy]propanimidamide;propanimidamide?
The IUPAC name of 2,2-dimethylpropane;3-[(2-methylpropan-2-yl)oxy]propanimidamide;propanimidamide (CID 163982726) is 2,2-dimethylpropane;3-[(2-methylpropan-2-yl)oxy]propanimidamide;propanimidamide.
What is the SMILES notation for 2,2-dimethylpropane;3-[(2-methylpropan-2-yl)oxy]propanimidamide;propanimidamide?
The canonical SMILES for 2,2-dimethylpropane;3-[(2-methylpropan-2-yl)oxy]propanimidamide;propanimidamide is CC(C)(C)C.[H]/N=C(/N)CC.[H]/N=C(\N)CCOC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropane;3-[(2-methylpropan-2-yl)oxy]propanimidamide;propanimidamide?
The InChIKey is SZUVQYFJKCSHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C5H12.C3H8N2/c1-7(2,3)10-5-4-6(8)9;1-5(2,3)4;1-2-3(4)5/h4-5H2,1-3H3,(H3,8,9);1-4H3;2H2,1H3,(H3,4,5).
What are the key properties of 2,2-dimethylpropane;3-[(2-methylpropan-2-yl)oxy]propanimidamide;propanimidamide?
2,2-dimethylpropane;3-[(2-methylpropan-2-yl)oxy]propanimidamide;propanimidamide has a molecular weight of 288.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;3-[(2-methylpropan-2-yl)oxy]propanimidamide;propanimidamide is sourced from PubChem (CID 163982726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).