N-[5-(diaminomethylideneamino)pentyl]benzamide

C13H20N4O — CID 21298945

IUPACN-[5-(diaminomethylideneamino)pentyl]benzamide
SMILESNC(N)=NCCCCCNC(=O)c1ccccc1
InChIInChI=1S/C13H20N4O/c14-13(15)17-10-6-2-5-9-16-12(18)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,16,18)(H4,14,15,17)
InChIKeyFPBLMXYTGXPVQO-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.86
Rot. Bonds7

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

N-[5-(diaminomethylideneamino)pentyl]benzamide (PubChem CID 21298945) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[5-(diaminomethylideneamino)pentyl]benzamide.

Molecular Properties

Compound NameN-[5-(diaminomethylideneamino)pentyl]benzamide
PubChem CID21298945
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[5-(diaminomethylideneamino)pentyl]benzamide
SMILESNC(N)=NCCCCCNC(=O)c1ccccc1
InChIInChI=1S/C13H20N4O/c14-13(15)17-10-6-2-5-9-16-12(18)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,16,18)(H4,14,15,17)
InChIKeyFPBLMXYTGXPVQO-UHFFFAOYSA-N
XLogP0.86
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.86
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-[[amino-(octylamino)methylidene]amino]propyl]benzamide
CID 111094065
N-[4-(diaminomethylideneamino)butyl]-4-methoxybenzamide;hydrochloride
CID 174646948
N-[5-(diaminomethylideneamino)pentyl]-4-phenyl-1,2-oxazole-3-carboxamide
CID 171108414
calcium;6-benzamidohexanoic acid;6-[[oxido(phenyl)methylidene]amino]hexanoate
CID 101304485
N-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635
3-[[3-[6-(diaminomethylideneamino)hexanoylamino]benzoyl]amino]propanoic acid
CID 19996407
N-(4-amino-4-sulfanylidenebutyl)benzamide
CID 62666024
N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
CID 11482903
chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine
CID 176532079
[(1R)-1-benzamido-4-(diaminomethylideneamino)butyl]boronic acid
CID 134142089
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
6-(diaminomethylideneamino)hexyl benzenecarboperoxoate
CID 175453044

Frequently Asked Questions

What is the IUPAC name of N-[5-(diaminomethylideneamino)pentyl]benzamide?
The IUPAC name of N-[5-(diaminomethylideneamino)pentyl]benzamide (CID 21298945) is N-[5-(diaminomethylideneamino)pentyl]benzamide.
What is the SMILES notation for N-[5-(diaminomethylideneamino)pentyl]benzamide?
The canonical SMILES for N-[5-(diaminomethylideneamino)pentyl]benzamide is NC(N)=NCCCCCNC(=O)c1ccccc1.
What is the InChIKey of N-[5-(diaminomethylideneamino)pentyl]benzamide?
The InChIKey is FPBLMXYTGXPVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-13(15)17-10-6-2-5-9-16-12(18)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,16,18)(H4,14,15,17).
What are the key properties of N-[5-(diaminomethylideneamino)pentyl]benzamide?
N-[5-(diaminomethylideneamino)pentyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diaminomethylideneamino)pentyl]benzamide is sourced from PubChem (CID 21298945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).