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

C14H24N2O2 — CID 54252925

IUPACN,N'-bis(but-2-enyl)hexanediamide
SMILESCC=CCNC(=O)CCCCC(=O)NCC=CC
InChIInChI=1S/C14H24N2O2/c1-3-5-11-15-13(17)9-7-8-10-14(18)16-12-6-4-2/h3-6H,7-12H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQYALOVAOHAFGKZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.93
Rot. Bonds9

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

N,N'-bis(but-2-enyl)hexanediamide (PubChem CID 54252925) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N,N'-bis(but-2-enyl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(but-2-enyl)hexanediamide
PubChem CID54252925
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN,N'-bis(but-2-enyl)hexanediamide
SMILESCC=CCNC(=O)CCCCC(=O)NCC=CC
InChIInChI=1S/C14H24N2O2/c1-3-5-11-15-13(17)9-7-8-10-14(18)16-12-6-4-2/h3-6H,7-12H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQYALOVAOHAFGKZ-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(but-2-enyl)hexanediamide?
The IUPAC name of N,N'-bis(but-2-enyl)hexanediamide (CID 54252925) is N,N'-bis(but-2-enyl)hexanediamide.
What is the SMILES notation for N,N'-bis(but-2-enyl)hexanediamide?
The canonical SMILES for N,N'-bis(but-2-enyl)hexanediamide is CC=CCNC(=O)CCCCC(=O)NCC=CC.
What is the InChIKey of N,N'-bis(but-2-enyl)hexanediamide?
The InChIKey is QYALOVAOHAFGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-5-11-15-13(17)9-7-8-10-14(18)16-12-6-4-2/h3-6H,7-12H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N,N'-bis(but-2-enyl)hexanediamide?
N,N'-bis(but-2-enyl)hexanediamide has a molecular weight of 252.36 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(but-2-enyl)hexanediamide is sourced from PubChem (CID 54252925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).