2,9-dibutyldecanediamide

C18H36N2O2 — CID 141080467

IUPAC2,9-dibutyldecanediamide
SMILESCCCCC(CCCCCCC(CCCC)C(N)=O)C(N)=O
InChIInChI=1S/C18H36N2O2/c1-3-5-11-15(17(19)21)13-9-7-8-10-14-16(18(20)22)12-6-4-2/h15-16H,3-14H2,1-2H3,(H2,19,21)(H2,20,22)
InChIKeyGXYHAGCCSCTEKJ-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.91
Rot. Bonds15

About 2,9-dibutyldecanediamide

2,9-dibutyldecanediamide (PubChem CID 141080467) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 2,9-dibutyldecanediamide.

Molecular Properties

Compound Name2,9-dibutyldecanediamide
PubChem CID141080467
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name2,9-dibutyldecanediamide
SMILESCCCCC(CCCCCCC(CCCC)C(N)=O)C(N)=O
InChIInChI=1S/C18H36N2O2/c1-3-5-11-15(17(19)21)13-9-7-8-10-14-16(18(20)22)12-6-4-2/h15-16H,3-14H2,1-2H3,(H2,19,21)(H2,20,22)
InChIKeyGXYHAGCCSCTEKJ-UHFFFAOYSA-N
XLogP3.91
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.91
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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Related Compounds

2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
acetic acid;2-butylhexadecanamide
CID 174441858
ethene;2-hexadecyloctadecanamide
CID 87836706
2-propylhexanamide
CID 19818979
2-undecylhexanediamide
CID 174629940
2-(2-hydroxyethyl)tetradecanamide
CID 154187361
azane;2-ethyldodecanamide
CID 174462460
2-hexadecylicos-11-enamide
CID 173011844

Frequently Asked Questions

What is the IUPAC name of 2,9-dibutyldecanediamide?
The IUPAC name of 2,9-dibutyldecanediamide (CID 141080467) is 2,9-dibutyldecanediamide.
What is the SMILES notation for 2,9-dibutyldecanediamide?
The canonical SMILES for 2,9-dibutyldecanediamide is CCCCC(CCCCCCC(CCCC)C(N)=O)C(N)=O.
What is the InChIKey of 2,9-dibutyldecanediamide?
The InChIKey is GXYHAGCCSCTEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-3-5-11-15(17(19)21)13-9-7-8-10-14-16(18(20)22)12-6-4-2/h15-16H,3-14H2,1-2H3,(H2,19,21)(H2,20,22).
What are the key properties of 2,9-dibutyldecanediamide?
2,9-dibutyldecanediamide has a molecular weight of 312.50 g/mol, XLogP of 3.91, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dibutyldecanediamide is sourced from PubChem (CID 141080467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).