2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuterio-N'-hydroxynonanimidamide

C9H20N2O — CID 172687458

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuterio-N'-hydroxynonanimidamide
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(N)=NO
InChIInChI=1S/C9H20N2O/c1-2-3-4-5-6-7-8-9(10)11-12/h12H,2-8H2,1H3,(H2,10,11)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
InChIKeyBFNMHBKYKMIUEQ-OISRNESJSA-N
MW189.38 g/mol
LogP2.48
Rot. Bonds8

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuterio-N'-hydroxynonanimidamide

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuterio-N'-hydroxynonanimidamide (PubChem CID 172687458) has the molecular formula C9H20N2O and a molecular weight of 189.38 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuterio-N'-hydroxynonanimidamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuterio-N'-hydroxynonanimidamide
PubChem CID172687458
Molecular FormulaC9H20N2O
Molecular Weight189.38 g/mol
Exact Mass189.26
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuterio-N'-hydroxynonanimidamide
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(N)=NO
InChIInChI=1S/C9H20N2O/c1-2-3-4-5-6-7-8-9(10)11-12/h12H,2-8H2,1H3,(H2,10,11)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2
InChIKeyBFNMHBKYKMIUEQ-OISRNESJSA-N
XLogP2.48
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-N',3-N'-dihydroxypropanediimidamide
CID 59593648
N'-hydroxy-3-methylhexanimidamide
CID 76589131
bis(1-N',3-N'-dihydroxypropanediimidamide);nickel
CID 5259453
4-(dimethylamino)-N'-hydroxybutanimidamide
CID 74314081
N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]butanimidamide
CID 43128381
1,1,2,2,3,3,3-heptadeuteriopropan-1-amine;hydrochloride
CID 90472115
azanide;tris(1-N',3-N'-dihydroxypropanediimidamide);nickel
CID 5259455
5-[ethyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374551
5-amino-5-hydroxyiminopentanamide
CID 57368861
N'-hydroxy-3-oxobutanimidamide
CID 23339865
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxyethanimidamide
CID 76912572
N'-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanimidamide
CID 74859890

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuterio-N'-hydroxynonanimidamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuterio-N'-hydroxynonanimidamide (CID 172687458) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuterio-N'-hydroxynonanimidamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuterio-N'-hydroxynonanimidamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuterio-N'-hydroxynonanimidamide is [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(N)=NO.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuterio-N'-hydroxynonanimidamide?
The InChIKey is BFNMHBKYKMIUEQ-OISRNESJSA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-3-4-5-6-7-8-9(10)11-12/h12H,2-8H2,1H3,(H2,10,11)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuterio-N'-hydroxynonanimidamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuterio-N'-hydroxynonanimidamide has a molecular weight of 189.38 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecadeuterio-N'-hydroxynonanimidamide is sourced from PubChem (CID 172687458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).