3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide

C11H23N3O — CID 77067837

IUPAC3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC1CCC1)CC(C)C(N)=NO
InChIInChI=1S/C11H23N3O/c1-3-14(8-10-5-4-6-10)7-9(2)11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyHWZHFYLEYWVEOL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.49
Rot. Bonds6

About 3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77067837) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID77067837
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC1CCC1)CC(C)C(N)=NO
InChIInChI=1S/C11H23N3O/c1-3-14(8-10-5-4-6-10)7-9(2)11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyHWZHFYLEYWVEOL-UHFFFAOYSA-N
XLogP1.49
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 102898273
1-[cyclobutylmethyl(ethyl)amino]propan-2-ol
CID 103714006
2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 77067847
3-[cyclohexyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 43367909
3-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 102993668
3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 114015122
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
CID 104928884
ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate
CID 107401021
3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol
CID 107400463
3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 76910360
3-[[ethyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 63046464
3-[cyclohexylmethyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910420

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 77067837) is 3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC1CCC1)CC(C)C(N)=NO.
What is the InChIKey of 3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is HWZHFYLEYWVEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-14(8-10-5-4-6-10)7-9(2)11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77067837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).