N,N'-bis(1-aminoethylidene)hexanediamide

C10H18N4O2 — CID 87475863

IUPACN,N'-bis(1-aminoethylidene)hexanediamide
SMILESC/C(N)=N\C(=O)CCCCC(=O)/N=C(\C)N
InChIInChI=1S/C10H18N4O2/c1-7(11)13-9(15)5-3-4-6-10(16)14-8(2)12/h3-6H2,1-2H3,(H2,11,13,15)(H2,12,14,16)
InChIKeyHRHIOJPHFXIXOL-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.35
Rot. Bonds5

About N,N'-bis(1-aminoethylidene)hexanediamide

N,N'-bis(1-aminoethylidene)hexanediamide (PubChem CID 87475863) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N,N'-bis(1-aminoethylidene)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(1-aminoethylidene)hexanediamide
PubChem CID87475863
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN,N'-bis(1-aminoethylidene)hexanediamide
SMILESC/C(N)=N\C(=O)CCCCC(=O)/N=C(\C)N
InChIInChI=1S/C10H18N4O2/c1-7(11)13-9(15)5-3-4-6-10(16)14-8(2)12/h3-6H2,1-2H3,(H2,11,13,15)(H2,12,14,16)
InChIKeyHRHIOJPHFXIXOL-UHFFFAOYSA-N
XLogP0.35
TPSA110.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
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,N'-bis(diaminomethylidene)octanediamide
CID 22639613
3-(1-aminoethylideneamino)-3-oxopropanoic acid
CID 137434238
N'-(diaminomethylidene)pentanediamide
CID 146034361
butyl (NZ)-N-(1-aminoethylidene)carbamate
CID 59984960
N'-[(Z)-oct-2-en-3-yl]ethanimidamide
CID 138509627
ethane;N'-hept-1-en-2-ylethanimidamide
CID 145472363
N-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide
CID 171544490
6-amino-N-[N'-(6-aminohexanoyl)carbamimidoyl]hexanamide;hydrochloride
CID 44783950
hexanediamide;hydrazine
CID 160854105
docosanediamide;hexacosanediamide
CID 129179979
pentadecanediamide
CID 87429217
hexanediamide;hydrazine
CID 160978463

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-aminoethylidene)hexanediamide?
The IUPAC name of N,N'-bis(1-aminoethylidene)hexanediamide (CID 87475863) is N,N'-bis(1-aminoethylidene)hexanediamide.
What is the SMILES notation for N,N'-bis(1-aminoethylidene)hexanediamide?
The canonical SMILES for N,N'-bis(1-aminoethylidene)hexanediamide is C/C(N)=N\C(=O)CCCCC(=O)/N=C(\C)N.
What is the InChIKey of N,N'-bis(1-aminoethylidene)hexanediamide?
The InChIKey is HRHIOJPHFXIXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(11)13-9(15)5-3-4-6-10(16)14-8(2)12/h3-6H2,1-2H3,(H2,11,13,15)(H2,12,14,16).
What are the key properties of N,N'-bis(1-aminoethylidene)hexanediamide?
N,N'-bis(1-aminoethylidene)hexanediamide has a molecular weight of 226.28 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-aminoethylidene)hexanediamide is sourced from PubChem (CID 87475863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).