2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide

C15H31N5O2 — CID 110038353

IUPAC2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C15H31N5O2/c1-8-9-16-14(17-10-13(22)19(5)6)20(7)11-12(21)18-15(2,3)4/h8-11H2,1-7H3,(H,16,17)(H,18,21)
InChIKeyLZPUIGFNOAKGFU-UHFFFAOYSA-N
MW313.45 g/mol
LogP0.28
Rot. Bonds6

About 2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110038353) has the molecular formula C15H31N5O2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110038353
Molecular FormulaC15H31N5O2
Molecular Weight313.45 g/mol
Exact Mass313.25
IUPAC Name2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C15H31N5O2/c1-8-9-16-14(17-10-13(22)19(5)6)20(7)11-12(21)18-15(2,3)4/h8-11H2,1-7H3,(H,16,17)(H,18,21)
InChIKeyLZPUIGFNOAKGFU-UHFFFAOYSA-N
XLogP0.28
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 50.28
H-Bond Donors ≤ 52
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,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide
CID 110049814
2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111501468
2-[[butylamino-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110049794
2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111160108
N-tert-butyl-2-[[N-ethyl-N'-(2-ethyl-2-hydroxybutyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111378837
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60717641
N,N-dimethyl-2-[[[methyl-[(3,4,5-trifluorophenyl)methyl]amino]-(propylamino)methylidene]amino]acetamide
CID 110049734
N-tert-butyl-2-[[N'-butyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]carbamimidoyl]-methylamino]acetamide
CID 111518447
N,N-dimethyl-2-[[[methyl(thiophen-3-ylmethyl)amino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110038264
2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110049824
N-tert-butyl-2-[[N-butyl-N'-[(4-nitrophenyl)methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111378659
N-tert-butyl-2-[[N-ethyl-N'-[2-hydroxy-3-(2-methylpropoxy)propyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111378653

Frequently Asked Questions

What is the IUPAC name of 2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110038353) is 2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide is CCCN/C(=N\CC(=O)N(C)C)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is LZPUIGFNOAKGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O2/c1-8-9-16-14(17-10-13(22)19(5)6)20(7)11-12(21)18-15(2,3)4/h8-11H2,1-7H3,(H,16,17)(H,18,21).
What are the key properties of 2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 313.45 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110038353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).