N'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide

C14H26N4O2 — CID 79170206

IUPACN'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide
SMILESCC(C)C(C(=O)N1CCC2CCC(C1)N2C)C(N)=NO
InChIInChI=1S/C14H26N4O2/c1-9(2)12(13(15)16-20)14(19)18-7-6-10-4-5-11(8-18)17(10)3/h9-12,20H,4-8H2,1-3H3,(H2,15,16)
InChIKeyYZYJAFZLKHCDNM-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.70
Rot. Bonds3

About N'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide

N'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide (PubChem CID 79170206) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide
PubChem CID79170206
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide
SMILESCC(C)C(C(=O)N1CCC2CCC(C1)N2C)C(N)=NO
InChIInChI=1S/C14H26N4O2/c1-9(2)12(13(15)16-20)14(19)18-7-6-10-4-5-11(8-18)17(10)3/h9-12,20H,4-8H2,1-3H3,(H2,15,16)
InChIKeyYZYJAFZLKHCDNM-UHFFFAOYSA-N
XLogP0.70
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.70
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

2-(4-cyclopropylpiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76925389
1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]piperidine-4-carboxamide
CID 76926780
N'-hydroxy-2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-3-methylbutanimidamide
CID 77048400
(2R)-2-amino-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79170601
9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 79116776
N'-hydroxy-3-methyl-2-(3-phenylpyrrolidine-1-carbonyl)butanimidamide
CID 76936501
2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide
CID 76926862
2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76981094
2-(4-tert-butylazepane-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 77024794
N'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide
CID 76926516
3-chloro-2-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79174324
3,3-dimethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanoic acid
CID 116537295

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide?
The IUPAC name of N'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide (CID 79170206) is N'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide?
The canonical SMILES for N'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide is CC(C)C(C(=O)N1CCC2CCC(C1)N2C)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide?
The InChIKey is YZYJAFZLKHCDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-9(2)12(13(15)16-20)14(19)18-7-6-10-4-5-11(8-18)17(10)3/h9-12,20H,4-8H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide?
N'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide has a molecular weight of 282.39 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide is sourced from PubChem (CID 79170206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).