N,N'-bis(diaminomethylidene)octanediamide

C10H20N6O2 — CID 22639613

IUPACN,N'-bis(diaminomethylidene)octanediamide
SMILESNC(N)=NC(=O)CCCCCCC(=O)N=C(N)N
InChIInChI=1S/C10H20N6O2/c11-9(12)15-7(17)5-3-1-2-4-6-8(18)16-10(13)14/h1-6H2,(H4,11,12,15,17)(H4,13,14,16,18)
InChIKeyZOBNKERGXPIREC-UHFFFAOYSA-N
MW256.31 g/mol
LogP-1.07
Rot. Bonds7

About N,N'-bis(diaminomethylidene)octanediamide

N,N'-bis(diaminomethylidene)octanediamide (PubChem CID 22639613) has the molecular formula C10H20N6O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N,N'-bis(diaminomethylidene)octanediamide.

Molecular Properties

Compound NameN,N'-bis(diaminomethylidene)octanediamide
PubChem CID22639613
Molecular FormulaC10H20N6O2
Molecular Weight256.31 g/mol
Exact Mass256.16
IUPAC NameN,N'-bis(diaminomethylidene)octanediamide
SMILESNC(N)=NC(=O)CCCCCCC(=O)N=C(N)N
InChIInChI=1S/C10H20N6O2/c11-9(12)15-7(17)5-3-1-2-4-6-8(18)16-10(13)14/h1-6H2,(H4,11,12,15,17)(H4,13,14,16,18)
InChIKeyZOBNKERGXPIREC-UHFFFAOYSA-N
XLogP-1.07
TPSA162.94 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
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'-(diaminomethylidene)pentanediamide
CID 146034361
N,N'-bis(1-aminoethylidene)hexanediamide
CID 87475863
N-(diaminomethylidene)-5-phenylpentanamide
CID 56974578
docosanediamide;hexacosanediamide
CID 129179979
dodecanediamide;nonanediamide
CID 175017820
pentadecanediamide
CID 87429217
nonatetracontanediamide
CID 162734608
6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride
CID 44783950
copper;tridecanediamide
CID 159780260
bis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride
CID 175018028
N-(diaminomethylidene)-2-methoxyacetamide
CID 55284547
hexanediamide;hydrazine
CID 160978463

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(diaminomethylidene)octanediamide?
The IUPAC name of N,N'-bis(diaminomethylidene)octanediamide (CID 22639613) is N,N'-bis(diaminomethylidene)octanediamide.
What is the SMILES notation for N,N'-bis(diaminomethylidene)octanediamide?
The canonical SMILES for N,N'-bis(diaminomethylidene)octanediamide is NC(N)=NC(=O)CCCCCCC(=O)N=C(N)N.
What is the InChIKey of N,N'-bis(diaminomethylidene)octanediamide?
The InChIKey is ZOBNKERGXPIREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O2/c11-9(12)15-7(17)5-3-1-2-4-6-8(18)16-10(13)14/h1-6H2,(H4,11,12,15,17)(H4,13,14,16,18).
What are the key properties of N,N'-bis(diaminomethylidene)octanediamide?
N,N'-bis(diaminomethylidene)octanediamide has a molecular weight of 256.31 g/mol, XLogP of -1.07, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(diaminomethylidene)octanediamide is sourced from PubChem (CID 22639613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).