N'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide

C9H20N2O2 — CID 77062773

IUPACN'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide
SMILESCCCOCCC(C)(C)C(N)=NO
InChIInChI=1S/C9H20N2O2/c1-4-6-13-7-5-9(2,3)8(10)11-12/h12H,4-7H2,1-3H3,(H2,10,11)
InChIKeyBWARFUQUTFLKLX-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.58
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide

N'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide (PubChem CID 77062773) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide
PubChem CID77062773
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide
SMILESCCCOCCC(C)(C)C(N)=NO
InChIInChI=1S/C9H20N2O2/c1-4-6-13-7-5-9(2,3)8(10)11-12/h12H,4-7H2,1-3H3,(H2,10,11)
InChIKeyBWARFUQUTFLKLX-UHFFFAOYSA-N
XLogP1.58
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-5-propoxypentanimidamide
CID 77063203
N'-hydroxy-4-(3-methoxypropoxy)-2,2-dimethylbutanimidamide
CID 77062623
6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711866
N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide
CID 104562250
N'-hydroxy-5-(2-methoxyethoxy)-2,2-dimethylpentanimidamide
CID 77063432
4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062663
N'-hydroxy-2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butanimidamide
CID 77062748
4-(butylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061981
5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063336
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
4-(2-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062701
3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide
CID 82944389

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide (CID 77062773) is N'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide is CCCOCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide?
The InChIKey is BWARFUQUTFLKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-6-13-7-5-9(2,3)8(10)11-12/h12H,4-7H2,1-3H3,(H2,10,11).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide?
N'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide has a molecular weight of 188.27 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide is sourced from PubChem (CID 77062773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).