(2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide

C12H20N4 — CID 90782282

IUPAC(2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide
SMILESCN[C@@H](C(N)=NNc1ccccc1)C(C)C
InChIInChI=1S/C12H20N4/c1-9(2)11(14-3)12(13)16-15-10-7-5-4-6-8-10/h4-9,11,14-15H,1-3H3,(H2,13,16)/t11-/m1/s1
InChIKeyHQJYIGLAJDWBOQ-LLVKDONJSA-N
MW220.32 g/mol
LogP1.61
Rot. Bonds5

About (2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide

(2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide (PubChem CID 90782282) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is (2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide.

Molecular Properties

Compound Name(2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide
PubChem CID90782282
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name(2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide
SMILESCN[C@@H](C(N)=NNc1ccccc1)C(C)C
InChIInChI=1S/C12H20N4/c1-9(2)11(14-3)12(13)16-15-10-7-5-4-6-8-10/h4-9,11,14-15H,1-3H3,(H2,13,16)/t11-/m1/s1
InChIKeyHQJYIGLAJDWBOQ-LLVKDONJSA-N
XLogP1.61
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.61
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-3-methylbutan-2-ylideneamino]aniline
CID 5484372
N'-anilino-2-oxopropanimidamide
CID 6340113
2-anilino-N'-hydroxypropanimidamide
CID 77025272
1-N'-anilino-2-N'-hydroxyethanediimidamide
CID 135408234
(1E)-N-phenylethanehydrazonoyl fluoride
CID 118400249
2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide
CID 77038656
(2Z)-N-methyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 15371306
(2E)-N'-anilino-2-(phenylhydrazinylidene)ethanimidamide
CID 15309595
zinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane
CID 134109584
benzyl (2S)-3-methyl-2-(methylamino)butanoate
CID 7020231
N-benzyl-3-methyl-2-(methylamino)butanamide
CID 21365821
(2Z)-4-methyl-2-(phenylhydrazinylidene)pentanoic acid
CID 18965760

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide?
The IUPAC name of (2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide (CID 90782282) is (2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide.
What is the SMILES notation for (2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide?
The canonical SMILES for (2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide is CN[C@@H](C(N)=NNc1ccccc1)C(C)C.
What is the InChIKey of (2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide?
The InChIKey is HQJYIGLAJDWBOQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N4/c1-9(2)11(14-3)12(13)16-15-10-7-5-4-6-8-10/h4-9,11,14-15H,1-3H3,(H2,13,16)/t11-/m1/s1.
What are the key properties of (2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide?
(2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide has a molecular weight of 220.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide is sourced from PubChem (CID 90782282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).