2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide

C11H24N4O — CID 126663191

IUPAC2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide
SMILESCC(C)[C@@H](/C(N)=N/CC(=O)N(C)C)N(C)C
InChIInChI=1S/C11H24N4O/c1-8(2)10(15(5)6)11(12)13-7-9(16)14(3)4/h8,10H,7H2,1-6H3,(H2,12,13)/t10-/m0/s1
InChIKeyPOSAYPFRJSZEPQ-JTQLQIEISA-N
MW228.34 g/mol
LogP0.02
Rot. Bonds5

About 2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide

2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide (PubChem CID 126663191) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide
PubChem CID126663191
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide
SMILESCC(C)[C@@H](/C(N)=N/CC(=O)N(C)C)N(C)C
InChIInChI=1S/C11H24N4O/c1-8(2)10(15(5)6)11(12)13-7-9(16)14(3)4/h8,10H,7H2,1-6H3,(H2,12,13)/t10-/m0/s1
InChIKeyPOSAYPFRJSZEPQ-JTQLQIEISA-N
XLogP0.02
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(2S)-1-amino-1-ethylimino-3-methylbutan-2-yl]-N,3-dimethylbutanamide
CID 134421183
(2S)-N-[(2S)-1-amino-3-methyl-1-methyliminobutan-2-yl]-3-methyl-2-(methylamino)butanamide
CID 163632516
2-[(2-acetamido-1-amino-3-methylbutylidene)amino]-N-propan-2-ylpropanamide
CID 177970283
2-(1-aminobutylideneamino)-N,N-dimethylacetamide
CID 63175648
2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylacetamide
CID 63175649
2-(1-aminopropylideneamino)-N,N-dimethylpropanamide
CID 63177901
2-(1-aminobutylideneamino)-N,N-dimethylpropanamide
CID 63177902
2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylpropanamide
CID 63177959
2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylpropanamide
CID 63177960
2-(1-aminobutylideneamino)-N-methylpropanamide
CID 63178113
2-[(1-amino-2-methylpropylidene)amino]-N-methylpropanamide
CID 63178168
2-[[amino(cyclopropyl)methylidene]amino]-N-ethyl-N-methylpropanamide
CID 103113540

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide (CID 126663191) is 2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide is CC(C)[C@@H](/C(N)=N/CC(=O)N(C)C)N(C)C.
What is the InChIKey of 2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide?
The InChIKey is POSAYPFRJSZEPQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N4O/c1-8(2)10(15(5)6)11(12)13-7-9(16)14(3)4/h8,10H,7H2,1-6H3,(H2,12,13)/t10-/m0/s1.
What are the key properties of 2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide?
2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide has a molecular weight of 228.34 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 126663191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).