N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(methylamino)propanamide

C12H23N3O2 — CID 143852082

IUPACN-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)/N=C(N)/C=C(\O)C(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-11(2,3)8(16)7-9(13)15-10(17)12(4,5)14-6/h7,14,16H,1-6H3,(H2,13,15,17)/b8-7-
InChIKeyVCUCHZZULXDKIY-FPLPWBNLSA-N
MW241.33 g/mol
LogP1.36
Rot. Bonds3

About N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(methylamino)propanamide

N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(methylamino)propanamide (PubChem CID 143852082) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(methylamino)propanamide
PubChem CID143852082
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)/N=C(N)/C=C(\O)C(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-11(2,3)8(16)7-9(13)15-10(17)12(4,5)14-6/h7,14,16H,1-6H3,(H2,13,15,17)/b8-7-
InChIKeyVCUCHZZULXDKIY-FPLPWBNLSA-N
XLogP1.36
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(propan-2-ylamino)propanamide
CID 143852089
N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-(4-fluoro-3-hydroxyphenyl)sulfanyl-2-methylpropanamide
CID 143618464
methyl (Z)-3-hydroxy-4,4-dimethylpent-2-enoate
CID 54675983
N-(2,2-dimethylpropanoyl)-2,2-dimethylpropanimidic acid;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);manganese
CID 162748847
chromium;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 5148179
tris((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);terbium
CID 71311421
copper;bis((E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 53393500
bis(cobalt(3+));tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 170922988
CID 6849360
CID 6849360
dioxomolybdenum;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one)
CID 102601110
tert-butyl 2-methyl-2-(methylamino)propanoate
CID 20649466
(Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide
CID 135889870

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(methylamino)propanamide?
The IUPAC name of N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(methylamino)propanamide (CID 143852082) is N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(methylamino)propanamide is CNC(C)(C)C(=O)/N=C(N)/C=C(\O)C(C)(C)C.
What is the InChIKey of N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(methylamino)propanamide?
The InChIKey is VCUCHZZULXDKIY-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-11(2,3)8(16)7-9(13)15-10(17)12(4,5)14-6/h7,14,16H,1-6H3,(H2,13,15,17)/b8-7-.
What are the key properties of N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(methylamino)propanamide?
N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(methylamino)propanamide has a molecular weight of 241.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-hydroxy-4,4-dimethylpent-2-enylidene]-2-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 143852082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).