3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide

C10H22N4O — CID 103646371

IUPAC3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESCC(C)(C)N/C(N)=N/CC(C)(C)C(N)=O
InChIInChI=1S/C10H22N4O/c1-9(2,3)14-8(12)13-6-10(4,5)7(11)15/h6H2,1-5H3,(H2,11,15)(H3,12,13,14)
InChIKeyMRYPIQKECCBUJN-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.20
Rot. Bonds3

About 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide

3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide (PubChem CID 103646371) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide
PubChem CID103646371
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESCC(C)(C)N/C(N)=N/CC(C)(C)C(N)=O
InChIInChI=1S/C10H22N4O/c1-9(2,3)14-8(12)13-6-10(4,5)7(11)15/h6H2,1-5H3,(H2,11,15)(H3,12,13,14)
InChIKeyMRYPIQKECCBUJN-UHFFFAOYSA-N
XLogP0.20
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
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 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide (CID 103646371) is 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide is CC(C)(C)N/C(N)=N/CC(C)(C)C(N)=O.
What is the InChIKey of 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide?
The InChIKey is MRYPIQKECCBUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-9(2,3)14-8(12)13-6-10(4,5)7(11)15/h6H2,1-5H3,(H2,11,15)(H3,12,13,14).
What are the key properties of 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide?
3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 103646371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).