5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide

C24H50N4O — CID 139836172

IUPAC5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide
SMILESCCCCCCCCC(CCCCCCCC)CNC(=O)CCCCN=C(N)N
InChIInChI=1S/C24H50N4O/c1-3-5-7-9-11-13-17-22(18-14-12-10-8-6-4-2)21-28-23(29)19-15-16-20-27-24(25)26/h22H,3-21H2,1-2H3,(H,28,29)(H4,25,26,27)
InChIKeyQMWJCEBMIIVSOQ-UHFFFAOYSA-N
MW410.69 g/mol
LogP5.66
Rot. Bonds21

About 5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide

5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide (PubChem CID 139836172) has the molecular formula C24H50N4O and a molecular weight of 410.69 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide.

Molecular Properties

Compound Name5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide
PubChem CID139836172
Molecular FormulaC24H50N4O
Molecular Weight410.69 g/mol
Exact Mass410.40
IUPAC Name5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide
SMILESCCCCCCCCC(CCCCCCCC)CNC(=O)CCCCN=C(N)N
InChIInChI=1S/C24H50N4O/c1-3-5-7-9-11-13-17-22(18-14-12-10-8-6-4-2)21-28-23(29)19-15-16-20-27-24(25)26/h22H,3-21H2,1-2H3,(H,28,29)(H4,25,26,27)
InChIKeyQMWJCEBMIIVSOQ-UHFFFAOYSA-N
XLogP5.66
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.69
LogP ≤ 55.66
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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Related Compounds

N-[5-(diaminomethylideneamino)pentyl]docosanamide
CID 135363931
N-[1-(diaminomethylideneamino)-6-oxononan-5-yl]dodecanamide
CID 147790356
2-[(5S)-5-butyldodecyl]guanidine
CID 155411805
N-[6-(diaminomethylideneamino)-1-(dodecylamino)-1-oxohexan-2-yl]dodecanamide
CID 87306993
N-[(2S)-6-(diaminomethylideneamino)-1-(ethylamino)-1-oxohexan-2-yl]dodecanamide
CID 127263390
N-[6-(diaminomethylideneamino)-1-(dodecylamino)-1-oxohexan-2-yl]octadecanamide;hydrochloride
CID 135364189
N-[(2S)-6-(diaminomethylideneamino)-1-(dodecylamino)-1-oxohexan-2-yl]docosanamide;hydrochloride
CID 135364280
5-(diaminomethylideneamino)-N-ethylpentanamide
CID 123296097
4-oxo-N-(2-tetradecylhexadecyl)butanamide
CID 135292881
N-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide
CID 11266997
2-(6-oxohenicosyl)guanidine
CID 163454706
N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide
CID 155426715

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide?
The IUPAC name of 5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide (CID 139836172) is 5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide.
What is the SMILES notation for 5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide?
The canonical SMILES for 5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide is CCCCCCCCC(CCCCCCCC)CNC(=O)CCCCN=C(N)N.
What is the InChIKey of 5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide?
The InChIKey is QMWJCEBMIIVSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N4O/c1-3-5-7-9-11-13-17-22(18-14-12-10-8-6-4-2)21-28-23(29)19-15-16-20-27-24(25)26/h22H,3-21H2,1-2H3,(H,28,29)(H4,25,26,27).
What are the key properties of 5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide?
5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide has a molecular weight of 410.69 g/mol, XLogP of 5.66, 21 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide is sourced from PubChem (CID 139836172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).