N'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide

C16H27N3O2 — CID 106711101

IUPACN'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide
SMILESCOc1cccc(CNCCCCC(C)(C)/C(N)=N/O)c1
InChIInChI=1S/C16H27N3O2/c1-16(2,15(17)19-20)9-4-5-10-18-12-13-7-6-8-14(11-13)21-3/h6-8,11,18,20H,4-5,9-10,12H2,1-3H3,(H2,17,19)
InChIKeyWGFCCHOEWSEVTJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.73
Rot. Bonds9

About N'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide

N'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide (PubChem CID 106711101) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide
PubChem CID106711101
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide
SMILESCOc1cccc(CNCCCCC(C)(C)/C(N)=N/O)c1
InChIInChI=1S/C16H27N3O2/c1-16(2,15(17)19-20)9-4-5-10-18-12-13-7-6-8-14(11-13)21-3/h6-8,11,18,20H,4-5,9-10,12H2,1-3H3,(H2,17,19)
InChIKeyWGFCCHOEWSEVTJ-UHFFFAOYSA-N
XLogP2.73
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.73
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-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide
CID 107853324
6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711118
N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide
CID 77063510
5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064047
N'-hydroxy-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpentanimidamide
CID 81353793
4-iodo-N-[(3-methoxyphenyl)methyl]butan-1-amine
CID 106844685
N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide
CID 106711107
3-bromo-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 114293504
3-[(3-methoxyphenyl)methylamino]propane-1-thiol
CID 115224939
N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239709
N'-[2-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239417
N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide
CID 77063966

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide?
The IUPAC name of N'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide (CID 106711101) is N'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for N'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide?
The canonical SMILES for N'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide is COc1cccc(CNCCCCC(C)(C)/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide?
The InChIKey is WGFCCHOEWSEVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-16(2,15(17)19-20)9-4-5-10-18-12-13-7-6-8-14(11-13)21-3/h6-8,11,18,20H,4-5,9-10,12H2,1-3H3,(H2,17,19).
What are the key properties of N'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide?
N'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide has a molecular weight of 293.41 g/mol, XLogP of 2.73, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).