N-[5-(diaminomethylideneamino)pentyl]docosanamide

C28H58N4O — CID 135363931

IUPACN-[5-(diaminomethylideneamino)pentyl]docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCN=C(N)N
InChIInChI=1S/C28H58N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-27(33)31-25-22-20-23-26-32-28(29)30/h2-26H2,1H3,(H,31,33)(H4,29,30,32)
InChIKeyLVIVECHQJZUEHE-UHFFFAOYSA-N
MW466.80 g/mol
LogP7.37
Rot. Bonds26

About N-[5-(diaminomethylideneamino)pentyl]docosanamide

N-[5-(diaminomethylideneamino)pentyl]docosanamide (PubChem CID 135363931) has the molecular formula C28H58N4O and a molecular weight of 466.80 g/mol. Its IUPAC name is N-[5-(diaminomethylideneamino)pentyl]docosanamide.

Molecular Properties

Compound NameN-[5-(diaminomethylideneamino)pentyl]docosanamide
PubChem CID135363931
Molecular FormulaC28H58N4O
Molecular Weight466.80 g/mol
Exact Mass466.46
IUPAC NameN-[5-(diaminomethylideneamino)pentyl]docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCN=C(N)N
InChIInChI=1S/C28H58N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-27(33)31-25-22-20-23-26-32-28(29)30/h2-26H2,1H3,(H,31,33)(H4,29,30,32)
InChIKeyLVIVECHQJZUEHE-UHFFFAOYSA-N
XLogP7.37
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.80
LogP ≤ 57.37
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-[3-[3-(diaminomethylideneamino)propylamino]propyl]nonanamide
CID 11266997
6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide
CID 143157402
N-[6-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]tetradecanamide
CID 11283359
N'-docosyldocosanediamide
CID 91257562
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-octylhexanediamide
CID 18377759
22-(docosanoylamino)docosanamide
CID 90926402
N-hexadecylhexanamide
CID 4953738
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556

Frequently Asked Questions

What is the IUPAC name of N-[5-(diaminomethylideneamino)pentyl]docosanamide?
The IUPAC name of N-[5-(diaminomethylideneamino)pentyl]docosanamide (CID 135363931) is N-[5-(diaminomethylideneamino)pentyl]docosanamide.
What is the SMILES notation for N-[5-(diaminomethylideneamino)pentyl]docosanamide?
The canonical SMILES for N-[5-(diaminomethylideneamino)pentyl]docosanamide is CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCN=C(N)N.
What is the InChIKey of N-[5-(diaminomethylideneamino)pentyl]docosanamide?
The InChIKey is LVIVECHQJZUEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-27(33)31-25-22-20-23-26-32-28(29)30/h2-26H2,1H3,(H,31,33)(H4,29,30,32).
What are the key properties of N-[5-(diaminomethylideneamino)pentyl]docosanamide?
N-[5-(diaminomethylideneamino)pentyl]docosanamide has a molecular weight of 466.80 g/mol, XLogP of 7.37, 26 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diaminomethylideneamino)pentyl]docosanamide is sourced from PubChem (CID 135363931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).