N,N'-bis(prop-2-enyl)hexanediamide

C12H20N2O2 — CID 2166261

IUPACN,N'-bis(prop-2-enyl)hexanediamide
SMILESC=CCNC(=O)CCCCC(=O)NCC=C
InChIInChI=1S/C12H20N2O2/c1-3-9-13-11(15)7-5-6-8-12(16)14-10-4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16)
InChIKeyBHMBYNPPLMUATD-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.15
Rot. Bonds9

About N,N'-bis(prop-2-enyl)hexanediamide

N,N'-bis(prop-2-enyl)hexanediamide (PubChem CID 2166261) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N,N'-bis(prop-2-enyl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(prop-2-enyl)hexanediamide
PubChem CID2166261
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN,N'-bis(prop-2-enyl)hexanediamide
SMILESC=CCNC(=O)CCCCC(=O)NCC=C
InChIInChI=1S/C12H20N2O2/c1-3-9-13-11(15)7-5-6-8-12(16)14-10-4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16)
InChIKeyBHMBYNPPLMUATD-UHFFFAOYSA-N
XLogP1.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,8-Diazacyclotetradecane-2,9-dione
CID 16
Nylon-66
CID 36070
1,6-Hexamethylenebisacrylamide
CID 250559
1,8-Diazacyclotetradecane-2,7-dione
CID 283592
Hexadecanamide, N-2-propenyl-
CID 10780234
N,N'-diallylpentanediamide
CID 2169358
N,N,N',N'-tetraallylhexanediamide
CID 2931250
1,6-Diazacyclododecane-7,12-dione
CID 85947916
N-Allylstearamide
CID 10711070
Azepan-2-one;prop-2-enamide
CID 17880980
Azepan-2-one;prop-1-ene
CID 142225150
5-fluoro-N-prop-2-enylpentanamide
CID 22975877

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(prop-2-enyl)hexanediamide?
The IUPAC name of N,N'-bis(prop-2-enyl)hexanediamide (CID 2166261) is N,N'-bis(prop-2-enyl)hexanediamide.
What is the SMILES notation for N,N'-bis(prop-2-enyl)hexanediamide?
The canonical SMILES for N,N'-bis(prop-2-enyl)hexanediamide is C=CCNC(=O)CCCCC(=O)NCC=C.
What is the InChIKey of N,N'-bis(prop-2-enyl)hexanediamide?
The InChIKey is BHMBYNPPLMUATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-9-13-11(15)7-5-6-8-12(16)14-10-4-2/h3-4H,1-2,5-10H2,(H,13,15)(H,14,16).
What are the key properties of N,N'-bis(prop-2-enyl)hexanediamide?
N,N'-bis(prop-2-enyl)hexanediamide has a molecular weight of 224.30 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(prop-2-enyl)hexanediamide is sourced from PubChem (CID 2166261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).