N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide

C15H27N3OS — CID 79493840

IUPACN'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide
SMILESCC(Cc1cccs1)N(C)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C15H27N3OS/c1-12(11-13-7-5-10-20-13)18(4)9-6-8-15(2,3)14(16)17-19/h5,7,10,12,19H,6,8-9,11H2,1-4H3,(H2,16,17)
InChIKeyHTYCCHMUTOQABY-UHFFFAOYSA-N
MW297.47 g/mol
LogP3.16
Rot. Bonds8

About N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide

N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide (PubChem CID 79493840) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide
PubChem CID79493840
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide
SMILESCC(Cc1cccs1)N(C)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C15H27N3OS/c1-12(11-13-7-5-10-20-13)18(4)9-6-8-15(2,3)14(16)17-19/h5,7,10,12,19H,6,8-9,11H2,1-4H3,(H2,16,17)
InChIKeyHTYCCHMUTOQABY-UHFFFAOYSA-N
XLogP3.16
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
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

4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
CID 79476073
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide
CID 79476012
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
CID 79486739
6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one
CID 79486782
N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide
CID 77063059
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063581
N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-thiophen-2-ylethyl]amino]hexanimidamide
CID 106711482

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide (CID 79493840) is N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide is CC(Cc1cccs1)N(C)CCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide?
The InChIKey is HTYCCHMUTOQABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-12(11-13-7-5-10-20-13)18(4)9-6-8-15(2,3)14(16)17-19/h5,7,10,12,19H,6,8-9,11H2,1-4H3,(H2,16,17).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide has a molecular weight of 297.47 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide is sourced from PubChem (CID 79493840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).