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

C12H20N2O2 — CID 22141689

IUPACN',N'-bis(prop-2-enyl)hexanediamide
SMILESC=CCN(CC=C)C(=O)CCCCC(N)=O
InChIInChI=1S/C12H20N2O2/c1-3-9-14(10-4-2)12(16)8-6-5-7-11(13)15/h3-4H,1-2,5-10H2,(H2,13,15)
InChIKeyJWUUPAPOQANTQP-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.23
Rot. Bonds9

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

N',N'-bis(prop-2-enyl)hexanediamide (PubChem CID 22141689) 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 CID22141689
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN',N'-bis(prop-2-enyl)hexanediamide
SMILESC=CCN(CC=C)C(=O)CCCCC(N)=O
InChIInChI=1S/C12H20N2O2/c1-3-9-14(10-4-2)12(16)8-6-5-7-11(13)15/h3-4H,1-2,5-10H2,(H2,13,15)
InChIKeyJWUUPAPOQANTQP-UHFFFAOYSA-N
XLogP1.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
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(prop-2-enyl)hexanediamide?
The IUPAC name of N',N'-bis(prop-2-enyl)hexanediamide (CID 22141689) 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=CCN(CC=C)C(=O)CCCCC(N)=O.
What is the InChIKey of N',N'-bis(prop-2-enyl)hexanediamide?
The InChIKey is JWUUPAPOQANTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-9-14(10-4-2)12(16)8-6-5-7-11(13)15/h3-4H,1-2,5-10H2,(H2,13,15).
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 1.23, 9 rotatable bonds, 1 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 22141689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).