2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide

C11H25N3O — CID 76915169

IUPAC2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CC(C)C)C(C)C(N)=NO
InChIInChI=1S/C11H25N3O/c1-8(2)6-14(7-9(3)4)10(5)11(12)13-15/h8-10,15H,6-7H2,1-5H3,(H2,12,13)
InChIKeyZVQNJRLZRDQZDN-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.74
Rot. Bonds6

About 2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide

2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76915169) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide
PubChem CID76915169
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)CN(CC(C)C)C(C)C(N)=NO
InChIInChI=1S/C11H25N3O/c1-8(2)6-14(7-9(3)4)10(5)11(12)13-15/h8-10,15H,6-7H2,1-5H3,(H2,12,13)
InChIKeyZVQNJRLZRDQZDN-UHFFFAOYSA-N
XLogP1.74
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide (CID 76915169) is 2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide is CC(C)CN(CC(C)C)C(C)C(N)=NO.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is ZVQNJRLZRDQZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-8(2)6-14(7-9(3)4)10(5)11(12)13-15/h8-10,15H,6-7H2,1-5H3,(H2,12,13).
What are the key properties of 2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76915169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).