N,N'-dibutylhexanediamide

C14H28N2O2 — CID 3626805

IUPACN,N'-dibutylhexanediamide
SMILESCCCCNC(=O)CCCCC(=O)NCCCC
InChIInChI=1S/C14H28N2O2/c1-3-5-11-15-13(17)9-7-8-10-14(18)16-12-6-4-2/h3-12H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyADUAOVRJMDDTIN-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.38
Rot. Bonds11

About N,N'-dibutylhexanediamide

N,N'-dibutylhexanediamide (PubChem CID 3626805) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N,N'-dibutylhexanediamide.

Molecular Properties

Compound NameN,N'-dibutylhexanediamide
PubChem CID3626805
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN,N'-dibutylhexanediamide
SMILESCCCCNC(=O)CCCCC(=O)NCCCC
InChIInChI=1S/C14H28N2O2/c1-3-5-11-15-13(17)9-7-8-10-14(18)16-12-6-4-2/h3-12H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyADUAOVRJMDDTIN-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dibutylhexanediamide?
The IUPAC name of N,N'-dibutylhexanediamide (CID 3626805) is N,N'-dibutylhexanediamide.
What is the SMILES notation for N,N'-dibutylhexanediamide?
The canonical SMILES for N,N'-dibutylhexanediamide is CCCCNC(=O)CCCCC(=O)NCCCC.
What is the InChIKey of N,N'-dibutylhexanediamide?
The InChIKey is ADUAOVRJMDDTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-5-11-15-13(17)9-7-8-10-14(18)16-12-6-4-2/h3-12H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N,N'-dibutylhexanediamide?
N,N'-dibutylhexanediamide has a molecular weight of 256.39 g/mol, XLogP of 2.38, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutylhexanediamide is sourced from PubChem (CID 3626805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).