N'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide

C14H25N3OS — CID 77062817

IUPACN'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide
SMILESCC(C)C(NCCC(C)(C)C(N)=NO)c1cccs1
InChIInChI=1S/C14H25N3OS/c1-10(2)12(11-6-5-9-19-11)16-8-7-14(3,4)13(15)17-18/h5-6,9-10,12,16,18H,7-8H2,1-4H3,(H2,15,17)
InChIKeyWORDHBRRETXTLL-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.20
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide

N'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide (PubChem CID 77062817) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide
PubChem CID77062817
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide
SMILESCC(C)C(NCCC(C)(C)C(N)=NO)c1cccs1
InChIInChI=1S/C14H25N3OS/c1-10(2)12(11-6-5-9-19-11)16-8-7-14(3,4)13(15)17-18/h5-6,9-10,12,16,18H,7-8H2,1-4H3,(H2,15,17)
InChIKeyWORDHBRRETXTLL-UHFFFAOYSA-N
XLogP3.20
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.20
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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Related Compounds

N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-thiophen-2-ylethyl]amino]hexanimidamide
CID 106711482
N'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide
CID 106711483
2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
CID 61166031
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol
CID 81411730
N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide
CID 79493840
6-[1-(furan-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711078
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pentanenitrile
CID 60697402
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine
CID 43768332
5-[1-(4-chlorophenyl)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064106
N'-hydroxy-2,2-dimethyl-4-(pentan-3-ylamino)butanimidamide
CID 77061866
N'-hydroxy-4-[(2-hydroxy-3-methylbutyl)amino]-2,2-dimethylbutanimidamide
CID 104866839

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide (CID 77062817) is N'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide is CC(C)C(NCCC(C)(C)C(N)=NO)c1cccs1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide?
The InChIKey is WORDHBRRETXTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-10(2)12(11-6-5-9-19-11)16-8-7-14(3,4)13(15)17-18/h5-6,9-10,12,16,18H,7-8H2,1-4H3,(H2,15,17).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide?
N'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide has a molecular weight of 283.44 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide is sourced from PubChem (CID 77062817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).