N'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide

C12H24N4O2 — CID 76926516

IUPACN'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide
SMILESCC(C)C(C(=O)N1CCCN(C)CC1)C(N)=NO
InChIInChI=1S/C12H24N4O2/c1-9(2)10(11(13)14-18)12(17)16-6-4-5-15(3)7-8-16/h9-10,18H,4-8H2,1-3H3,(H2,13,14)
InChIKeyBJXYJOKVBABIFY-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.17
Rot. Bonds3

About N'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide

N'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide (PubChem CID 76926516) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide
PubChem CID76926516
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide
SMILESCC(C)C(C(=O)N1CCCN(C)CC1)C(N)=NO
InChIInChI=1S/C12H24N4O2/c1-9(2)10(11(13)14-18)12(17)16-6-4-5-15(3)7-8-16/h9-10,18H,4-8H2,1-3H3,(H2,13,14)
InChIKeyBJXYJOKVBABIFY-UHFFFAOYSA-N
XLogP0.17
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.17
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
2-(4,4-dimethylpiperidine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76981094
1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]piperidine-4-carboxamide
CID 76926780
(2S)-2-amino-3-methyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one
CID 28745495
N'-hydroxy-3-methyl-2-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)butanimidamide
CID 77037194
2-(4-tert-butylazepane-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 77024794
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
CID 28745499
N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-3-methylbutanimidamide
CID 77033006
2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide
CID 76926862
3-methyl-1-(4-methyl-1,4-diazepan-1-yl)-2-sulfanylbutan-1-one
CID 107021855
N'-hydroxy-3-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanimidamide
CID 79170206
2-bromo-3-methyl-1-(4-methyl-1,4-diazepan-1-yl)butan-1-one
CID 43209354

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide?
The IUPAC name of N'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide (CID 76926516) is N'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide?
The canonical SMILES for N'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide is CC(C)C(C(=O)N1CCCN(C)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide?
The InChIKey is BJXYJOKVBABIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-9(2)10(11(13)14-18)12(17)16-6-4-5-15(3)7-8-16/h9-10,18H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide?
N'-hydroxy-3-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide has a molecular weight of 256.35 g/mol, XLogP of 0.17, 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-(4-methyl-1,4-diazepane-1-carbonyl)butanimidamide is sourced from PubChem (CID 76926516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).