4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide

C11H25N3O — CID 77027423

IUPAC4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide
SMILESCCC(CC)C(C)NCCCC(N)=NO
InChIInChI=1S/C11H25N3O/c1-4-10(5-2)9(3)13-8-6-7-11(12)14-15/h9-10,13,15H,4-8H2,1-3H3,(H2,12,14)
InChIKeyCCRMGXCYNKRFJP-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.93
Rot. Bonds8

About 4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide

4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide (PubChem CID 77027423) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide
PubChem CID77027423
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide
SMILESCCC(CC)C(C)NCCCC(N)=NO
InChIInChI=1S/C11H25N3O/c1-4-10(5-2)9(3)13-8-6-7-11(12)14-15/h9-10,13,15H,4-8H2,1-3H3,(H2,12,14)
InChIKeyCCRMGXCYNKRFJP-UHFFFAOYSA-N
XLogP1.93
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026529
N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide
CID 77026159
4-[(3-ethyl-2-hydroxypentyl)amino]-N'-hydroxybutanimidamide
CID 106287042
N'-hydroxy-4-(5-methylhexan-2-ylamino)butanimidamide
CID 77030340
N'-hydroxy-4-(1-methylsulfinylpropan-2-ylamino)butanimidamide
CID 104865883
N'-hydroxy-5-(2-methylbutylamino)pentanimidamide
CID 77027184
N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide
CID 77030148
5-(but-3-yn-2-ylamino)-N'-hydroxypentanimidamide
CID 104921688
N-(3-ethylpentan-2-yl)heptan-1-amine
CID 63843308
N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide
CID 77031852
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N'-hydroxybutanimidamide
CID 81354649
4-(2-ethoxypropylamino)-N'-hydroxybutanimidamide
CID 104864232

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide (CID 77027423) is 4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide is CCC(CC)C(C)NCCCC(N)=NO.
What is the InChIKey of 4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide?
The InChIKey is CCRMGXCYNKRFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-10(5-2)9(3)13-8-6-7-11(12)14-15/h9-10,13,15H,4-8H2,1-3H3,(H2,12,14).
What are the key properties of 4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide?
4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide has a molecular weight of 215.34 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpentan-2-ylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77027423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).