3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide

C9H22N4O — CID 77030830

IUPAC3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNCC(C)N(C)C)C(N)=NO
InChIInChI=1S/C9H22N4O/c1-7(9(10)12-14)5-11-6-8(2)13(3)4/h7-8,11,14H,5-6H2,1-4H3,(H2,10,12)
InChIKeyZMJYJBOWRJOAJR-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.09
Rot. Bonds6

About 3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide

3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77030830) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID77030830
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNCC(C)N(C)C)C(N)=NO
InChIInChI=1S/C9H22N4O/c1-7(9(10)12-14)5-11-6-8(2)13(3)4/h7-8,11,14H,5-6H2,1-4H3,(H2,10,12)
InChIKeyZMJYJBOWRJOAJR-UHFFFAOYSA-N
XLogP-0.09
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide (CID 77030830) is 3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide is CC(CNCC(C)N(C)C)C(N)=NO.
What is the InChIKey of 3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is ZMJYJBOWRJOAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O/c1-7(9(10)12-14)5-11-6-8(2)13(3)4/h7-8,11,14H,5-6H2,1-4H3,(H2,10,12).
What are the key properties of 3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 202.30 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)propylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77030830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).