2-hexylidenehexanediamide

C12H22N2O2 — CID 140969893

IUPAC2-hexylidenehexanediamide
SMILESCCCCCC=C(CCCC(N)=O)C(N)=O
InChIInChI=1S/C12H22N2O2/c1-2-3-4-5-7-10(12(14)16)8-6-9-11(13)15/h7H,2-6,8-9H2,1H3,(H2,13,15)(H2,14,16)
InChIKeyUYRRPXTXBOQKSE-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.63
Rot. Bonds9

About 2-hexylidenehexanediamide

2-hexylidenehexanediamide (PubChem CID 140969893) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-hexylidenehexanediamide.

Molecular Properties

Compound Name2-hexylidenehexanediamide
PubChem CID140969893
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-hexylidenehexanediamide
SMILESCCCCCC=C(CCCC(N)=O)C(N)=O
InChIInChI=1S/C12H22N2O2/c1-2-3-4-5-7-10(12(14)16)8-6-9-11(13)15/h7H,2-6,8-9H2,1H3,(H2,13,15)(H2,14,16)
InChIKeyUYRRPXTXBOQKSE-UHFFFAOYSA-N
XLogP1.63
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-nonylidenedodecanediamide
CID 154630805
2-dodecylpentadec-2-enamide
CID 173002797
2-hexylnon-2-enamide;prop-2-enoic acid
CID 174868257
2-[3-(butylamino)propylidene]decanamide
CID 174854372
octadec-9-enamide
CID 75990485
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-tricos-15-enamide
CID 155109212
(E)-2-octyldec-2-enoic acid
CID 87824483
(Z)-octadec-9-enamide;platinum
CID 174872668

Frequently Asked Questions

What is the IUPAC name of 2-hexylidenehexanediamide?
The IUPAC name of 2-hexylidenehexanediamide (CID 140969893) is 2-hexylidenehexanediamide.
What is the SMILES notation for 2-hexylidenehexanediamide?
The canonical SMILES for 2-hexylidenehexanediamide is CCCCCC=C(CCCC(N)=O)C(N)=O.
What is the InChIKey of 2-hexylidenehexanediamide?
The InChIKey is UYRRPXTXBOQKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-3-4-5-7-10(12(14)16)8-6-9-11(13)15/h7H,2-6,8-9H2,1H3,(H2,13,15)(H2,14,16).
What are the key properties of 2-hexylidenehexanediamide?
2-hexylidenehexanediamide has a molecular weight of 226.32 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylidenehexanediamide is sourced from PubChem (CID 140969893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).