3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide

C11H25N3O — CID 76917226

IUPAC3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCCCCN(CCC(N)=NO)CC(C)C
InChIInChI=1S/C11H25N3O/c1-4-5-7-14(9-10(2)3)8-6-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13)
InChIKeyBYQKOVOWSNTCGK-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.88
Rot. Bonds8

About 3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide

3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76917226) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
PubChem CID76917226
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
SMILESCCCCN(CCC(N)=NO)CC(C)C
InChIInChI=1S/C11H25N3O/c1-4-5-7-14(9-10(2)3)8-6-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13)
InChIKeyBYQKOVOWSNTCGK-UHFFFAOYSA-N
XLogP1.88
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.88
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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Related Compounds

N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide
CID 76997716
3-[2-ethylhexyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917559
N'-hydroxy-3-[2-methylpentyl(2-methylpropyl)amino]propanimidamide
CID 76937907
N'-hydroxy-3-[2-methylbutyl(2-methylpropyl)amino]propanimidamide
CID 76935617
3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104863480
N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
CID 54986697
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide
CID 77069051
5-[bis(3-methylbutyl)amino]-N'-hydroxypentanimidamide
CID 107869923
2-(dibutylamino)-N'-hydroxyethanimidamide
CID 74859795
N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100280
N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 58574228
N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide
CID 76917250

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide (CID 76917226) is 3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide is CCCCN(CCC(N)=NO)CC(C)C.
What is the InChIKey of 3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is BYQKOVOWSNTCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-5-7-14(9-10(2)3)8-6-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of 3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide?
3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76917226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).