N-tert-butyl-2-[ethyl(methyl)amino]-N-methyl-2-methyliminoacetamide

C11H23N3O — CID 90870569

IUPACN-tert-butyl-2-[ethyl(methyl)amino]-N-methyl-2-methyliminoacetamide
SMILESCCN(C)/C(=N\C)C(=O)N(C)C(C)(C)C
InChIInChI=1S/C11H23N3O/c1-8-13(6)9(12-5)10(15)14(7)11(2,3)4/h8H2,1-7H3/b12-9-
InChIKeyWRHGKJFXWHPAQQ-XFXZXTDPSA-N
MW213.32 g/mol
LogP1.22
Rot. Bonds1

About N-tert-butyl-2-[ethyl(methyl)amino]-N-methyl-2-methyliminoacetamide

N-tert-butyl-2-[ethyl(methyl)amino]-N-methyl-2-methyliminoacetamide (PubChem CID 90870569) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl(methyl)amino]-N-methyl-2-methyliminoacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl(methyl)amino]-N-methyl-2-methyliminoacetamide
PubChem CID90870569
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-tert-butyl-2-[ethyl(methyl)amino]-N-methyl-2-methyliminoacetamide
SMILESCCN(C)/C(=N\C)C(=O)N(C)C(C)(C)C
InChIInChI=1S/C11H23N3O/c1-8-13(6)9(12-5)10(15)14(7)11(2,3)4/h8H2,1-7H3/b12-9-
InChIKeyWRHGKJFXWHPAQQ-XFXZXTDPSA-N
XLogP1.22
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.22
H-Bond Donors ≤ 50
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

2-[tert-butyl(methyl)amino]-2-oxoacetic acid
CID 58147597
2-[[ethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 62820937
N-ethyl-N,3,3-trimethylbutanamide
CID 89107590
1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide
CID 169094165
1-ethyl-1,2-dimethylguanidine
CID 21191499
N-tert-butyl-N,2-dimethylpropanamide;N,2-dimethyl-N-propan-2-ylpropanamide;N-ethyl-N,2-dimethylpropanamide;N,N,2-trimethylpropanamide
CID 167540884
1,2-dimethyl-1-(2-methylbutan-2-yl)guanidine
CID 63958518
N-ethyl-N,2,2,4,4-pentamethylpentanamide
CID 149411745
3-amino-1-ethyl-1-methylurea
CID 43263702
(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080
N-ethyl-2,2,2-trifluoro-N-methylacetamide
CID 57170952
1-ethyl-1,2-dimethylguanidine;methane
CID 158668223

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl(methyl)amino]-N-methyl-2-methyliminoacetamide?
The IUPAC name of N-tert-butyl-2-[ethyl(methyl)amino]-N-methyl-2-methyliminoacetamide (CID 90870569) is N-tert-butyl-2-[ethyl(methyl)amino]-N-methyl-2-methyliminoacetamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl(methyl)amino]-N-methyl-2-methyliminoacetamide?
The canonical SMILES for N-tert-butyl-2-[ethyl(methyl)amino]-N-methyl-2-methyliminoacetamide is CCN(C)/C(=N\C)C(=O)N(C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[ethyl(methyl)amino]-N-methyl-2-methyliminoacetamide?
The InChIKey is WRHGKJFXWHPAQQ-XFXZXTDPSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8-13(6)9(12-5)10(15)14(7)11(2,3)4/h8H2,1-7H3/b12-9-.
What are the key properties of N-tert-butyl-2-[ethyl(methyl)amino]-N-methyl-2-methyliminoacetamide?
N-tert-butyl-2-[ethyl(methyl)amino]-N-methyl-2-methyliminoacetamide has a molecular weight of 213.32 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl(methyl)amino]-N-methyl-2-methyliminoacetamide is sourced from PubChem (CID 90870569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).