(2S)-2-[bis(dimethylamino)methylideneamino]-N,3-dimethylbutanamide

C11H24N4O — CID 141475360

IUPAC(2S)-2-[bis(dimethylamino)methylideneamino]-N,3-dimethylbutanamide
SMILESCNC(=O)[C@@H](N=C(N(C)C)N(C)C)C(C)C
InChIInChI=1S/C11H24N4O/c1-8(2)9(10(16)12-3)13-11(14(4)5)15(6)7/h8-9H,1-7H3,(H,12,16)/t9-/m0/s1
InChIKeyRIWYIWNATUAITC-VIFPVBQESA-N
MW228.34 g/mol
LogP0.24
Rot. Bonds3

About (2S)-2-[bis(dimethylamino)methylideneamino]-N,3-dimethylbutanamide

(2S)-2-[bis(dimethylamino)methylideneamino]-N,3-dimethylbutanamide (PubChem CID 141475360) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-[bis(dimethylamino)methylideneamino]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[bis(dimethylamino)methylideneamino]-N,3-dimethylbutanamide
PubChem CID141475360
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name(2S)-2-[bis(dimethylamino)methylideneamino]-N,3-dimethylbutanamide
SMILESCNC(=O)[C@@H](N=C(N(C)C)N(C)C)C(C)C
InChIInChI=1S/C11H24N4O/c1-8(2)9(10(16)12-3)13-11(14(4)5)15(6)7/h8-9H,1-7H3,(H,12,16)/t9-/m0/s1
InChIKeyRIWYIWNATUAITC-VIFPVBQESA-N
XLogP0.24
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[[amino-[[N'-[2-(methylamino)-2-oxoethyl]carbamimidoyl]amino]methylidene]amino]butyl-trimethylazanium
CID 59333027
2-[[amino-[ethyl(methyl)amino]methylidene]amino]-N-methylpropanamide
CID 90245701
2-[[2-(dimethylamino)ethyliminomethylamino]methylideneamino]-N-methylpropanamide
CID 90245901
2-[[amino-[methyl(methylaminomethyl)amino]methylidene]amino]-N-methylpropanamide
CID 90245990
2-acetamido-N-[amino-[[amino(dimethylamino)methylidene]amino]methylidene]butanamide
CID 124025294
(2S)-2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N,3-dimethylbutanamide
CID 142798288
2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N,3-dimethylbutanamide
CID 142798289
2-(4,5-dihydro-1H-imidazol-2-ylamino)-N,3-dimethylbutanamide
CID 144037884
2-[bis(dimethylamino)methylideneamino]-N,3-dimethylbutanamide
CID 144975261
2-(tert-Butylamino)-4-isopropyl-1-methyl-1H-imidazol-5(4H)-one
CID 45097265
N-methyl-2-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide
CID 62362918
2-[[amino-(propan-2-ylamino)methylidene]amino]-N,N-dimethylpropanamide
CID 62363805

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis(dimethylamino)methylideneamino]-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-[bis(dimethylamino)methylideneamino]-N,3-dimethylbutanamide (CID 141475360) is (2S)-2-[bis(dimethylamino)methylideneamino]-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-[bis(dimethylamino)methylideneamino]-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-[bis(dimethylamino)methylideneamino]-N,3-dimethylbutanamide is CNC(=O)[C@@H](N=C(N(C)C)N(C)C)C(C)C.
What is the InChIKey of (2S)-2-[bis(dimethylamino)methylideneamino]-N,3-dimethylbutanamide?
The InChIKey is RIWYIWNATUAITC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H24N4O/c1-8(2)9(10(16)12-3)13-11(14(4)5)15(6)7/h8-9H,1-7H3,(H,12,16)/t9-/m0/s1.
What are the key properties of (2S)-2-[bis(dimethylamino)methylideneamino]-N,3-dimethylbutanamide?
(2S)-2-[bis(dimethylamino)methylideneamino]-N,3-dimethylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis(dimethylamino)methylideneamino]-N,3-dimethylbutanamide is sourced from PubChem (CID 141475360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).