5-(diaminomethylideneamino)-N,2-dimethylpentanamide

C8H18N4O — CID 20582867

IUPAC5-(diaminomethylideneamino)-N,2-dimethylpentanamide
SMILESCNC(=O)C(C)CCCN=C(N)N
InChIInChI=1S/C8H18N4O/c1-6(7(13)11-2)4-3-5-12-8(9)10/h6H,3-5H2,1-2H3,(H,11,13)(H4,9,10,12)
InChIKeyFKQNVXRFOFOKKY-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.58
Rot. Bonds5

About 5-(diaminomethylideneamino)-N,2-dimethylpentanamide

5-(diaminomethylideneamino)-N,2-dimethylpentanamide (PubChem CID 20582867) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-N,2-dimethylpentanamide.

Molecular Properties

Compound Name5-(diaminomethylideneamino)-N,2-dimethylpentanamide
PubChem CID20582867
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name5-(diaminomethylideneamino)-N,2-dimethylpentanamide
SMILESCNC(=O)C(C)CCCN=C(N)N
InChIInChI=1S/C8H18N4O/c1-6(7(13)11-2)4-3-5-12-8(9)10/h6H,3-5H2,1-2H3,(H,11,13)(H4,9,10,12)
InChIKeyFKQNVXRFOFOKKY-UHFFFAOYSA-N
XLogP-0.58
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.58
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 5-(diaminomethylideneamino)-N,2-dimethylpentanamide?
The IUPAC name of 5-(diaminomethylideneamino)-N,2-dimethylpentanamide (CID 20582867) is 5-(diaminomethylideneamino)-N,2-dimethylpentanamide.
What is the SMILES notation for 5-(diaminomethylideneamino)-N,2-dimethylpentanamide?
The canonical SMILES for 5-(diaminomethylideneamino)-N,2-dimethylpentanamide is CNC(=O)C(C)CCCN=C(N)N.
What is the InChIKey of 5-(diaminomethylideneamino)-N,2-dimethylpentanamide?
The InChIKey is FKQNVXRFOFOKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-6(7(13)11-2)4-3-5-12-8(9)10/h6H,3-5H2,1-2H3,(H,11,13)(H4,9,10,12).
What are the key properties of 5-(diaminomethylideneamino)-N,2-dimethylpentanamide?
5-(diaminomethylideneamino)-N,2-dimethylpentanamide has a molecular weight of 186.26 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)-N,2-dimethylpentanamide is sourced from PubChem (CID 20582867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).