2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide

C10H22N4O — CID 104920863

IUPAC2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)C/N=C(\N)NC(C)(C)C
InChIInChI=1S/C10H22N4O/c1-6-14(5)8(15)7-12-9(11)13-10(2,3)4/h6-7H2,1-5H3,(H3,11,12,13)
InChIKeyFPNXVHVAERQEFI-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.17
Rot. Bonds3

About 2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide

2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide (PubChem CID 104920863) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide
PubChem CID104920863
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)C/N=C(\N)NC(C)(C)C
InChIInChI=1S/C10H22N4O/c1-6-14(5)8(15)7-12-9(11)13-10(2,3)4/h6-7H2,1-5H3,(H3,11,12,13)
InChIKeyFPNXVHVAERQEFI-UHFFFAOYSA-N
XLogP0.17
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.17
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide (CID 104920863) is 2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)C/N=C(\N)NC(C)(C)C.
What is the InChIKey of 2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide?
The InChIKey is FPNXVHVAERQEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-6-14(5)8(15)7-12-9(11)13-10(2,3)4/h6-7H2,1-5H3,(H3,11,12,13).
What are the key properties of 2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide?
2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide has a molecular weight of 214.31 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 104920863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).