3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide

C16H28N4O — CID 77043954

IUPAC3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide
SMILESCC(C)C(CN(C)C)NCC(C(N)=NO)c1ccccc1
InChIInChI=1S/C16H28N4O/c1-12(2)15(11-20(3)4)18-10-14(16(17)19-21)13-8-6-5-7-9-13/h5-9,12,14-15,18,21H,10-11H2,1-4H3,(H2,17,19)
InChIKeyNLWZXNDMIFHSRP-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.69
Rot. Bonds8

About 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide

3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide (PubChem CID 77043954) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide
PubChem CID77043954
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide
SMILESCC(C)C(CN(C)C)NCC(C(N)=NO)c1ccccc1
InChIInChI=1S/C16H28N4O/c1-12(2)15(11-20(3)4)18-10-14(16(17)19-21)13-8-6-5-7-9-13/h5-9,12,14-15,18,21H,10-11H2,1-4H3,(H2,17,19)
InChIKeyNLWZXNDMIFHSRP-UHFFFAOYSA-N
XLogP1.69
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.69
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'}

Analyze 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide 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

N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722
3-(butan-2-ylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043803
N'-hydroxy-3-(octan-4-ylamino)-2-phenylpropanimidamide
CID 106019387
N'-hydroxy-3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-2-phenylpropanimidamide
CID 106161790
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-phenylpropanenitrile
CID 64538244
3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77044147
3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 64538076
N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide
CID 107153079
4-amino-N'-hydroxy-2-phenylbutanimidamide
CID 141138558
3-(but-2-ynylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 113464676
1-N,1-N,3-trimethyl-2-N-(2-phenylprop-2-enyl)butane-1,2-diamine
CID 113288131
N'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide
CID 81055319

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide?
The IUPAC name of 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide (CID 77043954) is 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide.
What is the SMILES notation for 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide?
The canonical SMILES for 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide is CC(C)C(CN(C)C)NCC(C(N)=NO)c1ccccc1.
What is the InChIKey of 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide?
The InChIKey is NLWZXNDMIFHSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)15(11-20(3)4)18-10-14(16(17)19-21)13-8-6-5-7-9-13/h5-9,12,14-15,18,21H,10-11H2,1-4H3,(H2,17,19).
What are the key properties of 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide?
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide has a molecular weight of 292.43 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide is sourced from PubChem (CID 77043954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).