N'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide

C14H25N3OS — CID 106711483

IUPACN'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide
SMILESC[C@@H](NCCCCC(C)(C)/C(N)=N/O)c1cccs1
InChIInChI=1S/C14H25N3OS/c1-11(12-7-6-10-19-12)16-9-5-4-8-14(2,3)13(15)17-18/h6-7,10-11,16,18H,4-5,8-9H2,1-3H3,(H2,15,17)/t11-/m1/s1
InChIKeyOAMLDCMTFDBZPL-LLVKDONJSA-N
MW283.44 g/mol
LogP3.34
Rot. Bonds8

About N'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide

N'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide (PubChem CID 106711483) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide
PubChem CID106711483
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide
SMILESC[C@@H](NCCCCC(C)(C)/C(N)=N/O)c1cccs1
InChIInChI=1S/C14H25N3OS/c1-11(12-7-6-10-19-12)16-9-5-4-8-14(2,3)13(15)17-18/h6-7,10-11,16,18H,4-5,8-9H2,1-3H3,(H2,15,17)/t11-/m1/s1
InChIKeyOAMLDCMTFDBZPL-LLVKDONJSA-N
XLogP3.34
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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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-4-[(2-methyl-1-thiophen-2-ylpropyl)amino]butanimidamide
CID 77062817
6-[1-(furan-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711078
N'-hydroxy-2,2-dimethyl-6-[1-(4-methylphenyl)ethylamino]hexanimidamide
CID 106711270
N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide
CID 106711462
5,5,5-trifluoro-N-(1-thiophen-2-ylethyl)pentan-1-amine
CID 115516778
5-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 81378246
5-[[(1S)-1-thiophen-2-ylethyl]amino]pentan-1-ol
CID 81408361
5-[1-(4-chlorophenyl)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064106
5-[1-(4-fluorophenyl)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063738
3,3-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398667
N'-hydroxy-2,2-dimethyl-5-[[(1R)-1-(3-methylphenyl)ethyl]amino]pentanimidamide
CID 81360398

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide (CID 106711483) is N'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide is C[C@@H](NCCCCC(C)(C)/C(N)=N/O)c1cccs1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide?
The InChIKey is OAMLDCMTFDBZPL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-11(12-7-6-10-19-12)16-9-5-4-8-14(2,3)13(15)17-18/h6-7,10-11,16,18H,4-5,8-9H2,1-3H3,(H2,15,17)/t11-/m1/s1.
What are the key properties of N'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide has a molecular weight of 283.44 g/mol, XLogP of 3.34, 8 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-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide is sourced from PubChem (CID 106711483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).