N-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylbutanamide

C9H20N4O — CID 138649246

IUPACN-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCN=C(N)N
InChIInChI=1S/C9H20N4O/c1-4-9(2,3)7(14)12-5-6-13-8(10)11/h4-6H2,1-3H3,(H,12,14)(H4,10,11,13)
InChIKeyXQCOWBLBDVNONE-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.19
Rot. Bonds5

About N-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylbutanamide

N-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylbutanamide (PubChem CID 138649246) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is N-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylbutanamide
PubChem CID138649246
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC NameN-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCCN=C(N)N
InChIInChI=1S/C9H20N4O/c1-4-9(2,3)7(14)12-5-6-13-8(10)11/h4-6H2,1-3H3,(H,12,14)(H4,10,11,13)
InChIKeyXQCOWBLBDVNONE-UHFFFAOYSA-N
XLogP-0.19
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylbutanamide (CID 138649246) is N-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCCN=C(N)N.
What is the InChIKey of N-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylbutanamide?
The InChIKey is XQCOWBLBDVNONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-4-9(2,3)7(14)12-5-6-13-8(10)11/h4-6H2,1-3H3,(H,12,14)(H4,10,11,13).
What are the key properties of N-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylbutanamide?
N-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylbutanamide has a molecular weight of 200.29 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diaminomethylideneamino)ethyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 138649246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).