5-(diaminomethylideneamino)-N-methylpentanamide

C7H16N4O — CID 122591455

IUPAC5-(diaminomethylideneamino)-N-methylpentanamide
SMILESCNC(=O)CCCCN=C(N)N
InChIInChI=1S/C7H16N4O/c1-10-6(12)4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11)
InChIKeyFCGWQAVPUZRKMP-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.82
Rot. Bonds5

About 5-(diaminomethylideneamino)-N-methylpentanamide

5-(diaminomethylideneamino)-N-methylpentanamide (PubChem CID 122591455) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-N-methylpentanamide.

Molecular Properties

Compound Name5-(diaminomethylideneamino)-N-methylpentanamide
PubChem CID122591455
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name5-(diaminomethylideneamino)-N-methylpentanamide
SMILESCNC(=O)CCCCN=C(N)N
InChIInChI=1S/C7H16N4O/c1-10-6(12)4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11)
InChIKeyFCGWQAVPUZRKMP-UHFFFAOYSA-N
XLogP-0.82
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.82
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'}

Analyze 5-(diaminomethylideneamino)-N-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(diaminomethylideneamino)-N-ethylpentanamide
CID 123296097
N,N'-dimethylheptanediamide
CID 15166696
2-(6-oxooct-7-enyl)guanidine
CID 58133145
N-[5-(diaminomethylideneamino)pentyl]docosanamide
CID 135363931
2-(5-oxoheptyl)guanidine
CID 89070451
6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide
CID 143157402
(2S)-5-(diaminomethylideneamino)-2-[5-(diaminomethylideneamino)pentanoylamino]pentanamide
CID 58616882
7-(diaminomethylideneamino)-N-[1-hydroxy-2-[3-(methylamino)propylamino]-2-oxoethyl]heptanamide
CID 90152029
5-(diaminomethylideneamino)-2-[2-[5-(diaminomethylideneamino)pentanoylamino]propanoylamino]pentanamide
CID 134322834
2-(6-oxohenicosyl)guanidine
CID 163454706
6-azido-N-methylhexanamide
CID 130188396
5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide
CID 139836172

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)-N-methylpentanamide?
The IUPAC name of 5-(diaminomethylideneamino)-N-methylpentanamide (CID 122591455) is 5-(diaminomethylideneamino)-N-methylpentanamide.
What is the SMILES notation for 5-(diaminomethylideneamino)-N-methylpentanamide?
The canonical SMILES for 5-(diaminomethylideneamino)-N-methylpentanamide is CNC(=O)CCCCN=C(N)N.
What is the InChIKey of 5-(diaminomethylideneamino)-N-methylpentanamide?
The InChIKey is FCGWQAVPUZRKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c1-10-6(12)4-2-3-5-11-7(8)9/h2-5H2,1H3,(H,10,12)(H4,8,9,11).
What are the key properties of 5-(diaminomethylideneamino)-N-methylpentanamide?
5-(diaminomethylideneamino)-N-methylpentanamide has a molecular weight of 172.23 g/mol, XLogP of -0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)-N-methylpentanamide is sourced from PubChem (CID 122591455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).