N-(diaminomethylidene)-4,4-dimethyl-3-oxopentanamide

C8H15N3O2 — CID 58678963

IUPACN-(diaminomethylidene)-4,4-dimethyl-3-oxopentanamide
SMILESCC(C)(C)C(=O)CC(=O)N=C(N)N
InChIInChI=1S/C8H15N3O2/c1-8(2,3)5(12)4-6(13)11-7(9)10/h4H2,1-3H3,(H4,9,10,11,13)
InChIKeyUMOLRANFJLERHH-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.21
Rot. Bonds2

About N-(diaminomethylidene)-4,4-dimethyl-3-oxopentanamide

N-(diaminomethylidene)-4,4-dimethyl-3-oxopentanamide (PubChem CID 58678963) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(diaminomethylidene)-4,4-dimethyl-3-oxopentanamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4,4-dimethyl-3-oxopentanamide
PubChem CID58678963
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-(diaminomethylidene)-4,4-dimethyl-3-oxopentanamide
SMILESCC(C)(C)C(=O)CC(=O)N=C(N)N
InChIInChI=1S/C8H15N3O2/c1-8(2,3)5(12)4-6(13)11-7(9)10/h4H2,1-3H3,(H4,9,10,11,13)
InChIKeyUMOLRANFJLERHH-UHFFFAOYSA-N
XLogP-0.21
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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)-4,4-dimethyl-3-oxopentanamide?
The IUPAC name of N-(diaminomethylidene)-4,4-dimethyl-3-oxopentanamide (CID 58678963) is N-(diaminomethylidene)-4,4-dimethyl-3-oxopentanamide.
What is the SMILES notation for N-(diaminomethylidene)-4,4-dimethyl-3-oxopentanamide?
The canonical SMILES for N-(diaminomethylidene)-4,4-dimethyl-3-oxopentanamide is CC(C)(C)C(=O)CC(=O)N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-4,4-dimethyl-3-oxopentanamide?
The InChIKey is UMOLRANFJLERHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-8(2,3)5(12)4-6(13)11-7(9)10/h4H2,1-3H3,(H4,9,10,11,13).
What are the key properties of N-(diaminomethylidene)-4,4-dimethyl-3-oxopentanamide?
N-(diaminomethylidene)-4,4-dimethyl-3-oxopentanamide has a molecular weight of 185.23 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4,4-dimethyl-3-oxopentanamide is sourced from PubChem (CID 58678963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).