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

C12H27N3O — CID 76910360

IUPAC3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCC(C)(C)C)CC(C)C(N)=NO
InChIInChI=1S/C12H27N3O/c1-6-15(8-7-12(3,4)5)9-10(2)11(13)14-16/h10,16H,6-9H2,1-5H3,(H2,13,14)
InChIKeyDEYDYLAZDUSKND-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.13
Rot. Bonds6

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

3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76910360) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76910360
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CCC(C)(C)C)CC(C)C(N)=NO
InChIInChI=1S/C12H27N3O/c1-6-15(8-7-12(3,4)5)9-10(2)11(13)14-16/h10,16H,6-9H2,1-5H3,(H2,13,14)
InChIKeyDEYDYLAZDUSKND-UHFFFAOYSA-N
XLogP2.13
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.13
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-[3-(diethylamino)propyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 102993668
3-[ethyl(2-pyrrolidin-1-ylethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 114015122
3-[ethyl-[3-(2-methoxyethoxy)propyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 103409983
3-[(4-tert-butylphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910333
3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77067837
3-[2-(4-bromophenoxy)ethyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910381
3-[ethyl-[2-(2-methoxyphenoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 77073419
3-[ethyl-[2-(2-oxo-1-pyridinyl)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 82897981
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-tert-butyl-1-ethylurea
CID 54988667
3-[(4-bromothiophen-2-yl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76919064
6-[ethyl(2-ethylbutyl)amino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710790
3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 82927481

Frequently Asked Questions

What is the IUPAC name of 3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 76910360) is 3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CCC(C)(C)C)CC(C)C(N)=NO.
What is the InChIKey of 3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is DEYDYLAZDUSKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-6-15(8-7-12(3,4)5)9-10(2)11(13)14-16/h10,16H,6-9H2,1-5H3,(H2,13,14).
What are the key properties of 3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 229.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethylbutyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76910360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).