N-(diaminomethylidene)-2,2-dimethylpropanamide

C6H13N3O — CID 20978212

IUPACN-(diaminomethylidene)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N=C(N)N
InChIInChI=1S/C6H13N3O/c1-6(2,3)4(10)9-5(7)8/h1-3H3,(H4,7,8,9,10)
InChIKeyMTVNKFCDEUNUPI-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.17
Rot. Bonds

About N-(diaminomethylidene)-2,2-dimethylpropanamide

N-(diaminomethylidene)-2,2-dimethylpropanamide (PubChem CID 20978212) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(diaminomethylidene)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2,2-dimethylpropanamide
PubChem CID20978212
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC NameN-(diaminomethylidene)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N=C(N)N
InChIInChI=1S/C6H13N3O/c1-6(2,3)4(10)9-5(7)8/h1-3H3,(H4,7,8,9,10)
InChIKeyMTVNKFCDEUNUPI-UHFFFAOYSA-N
XLogP-0.17
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 N-(diaminomethylidene)-2,2-dimethylpropanamide?
The IUPAC name of N-(diaminomethylidene)-2,2-dimethylpropanamide (CID 20978212) is N-(diaminomethylidene)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(diaminomethylidene)-2,2-dimethylpropanamide?
The canonical SMILES for N-(diaminomethylidene)-2,2-dimethylpropanamide is CC(C)(C)C(=O)N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-2,2-dimethylpropanamide?
The InChIKey is MTVNKFCDEUNUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-6(2,3)4(10)9-5(7)8/h1-3H3,(H4,7,8,9,10).
What are the key properties of N-(diaminomethylidene)-2,2-dimethylpropanamide?
N-(diaminomethylidene)-2,2-dimethylpropanamide has a molecular weight of 143.19 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2,2-dimethylpropanamide is sourced from PubChem (CID 20978212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).