3,5,5-trimethyl-N,N-bis(prop-2-enyl)hexanamide

C15H27NO — CID 89285810

IUPAC3,5,5-trimethyl-N,N-bis(prop-2-enyl)hexanamide
SMILESC=CCN(CC=C)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C15H27NO/c1-7-9-16(10-8-2)14(17)11-13(3)12-15(4,5)6/h7-8,13H,1-2,9-12H2,3-6H3
InChIKeyWZUGQRFRUXUEKH-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.65
Rot. Bonds7

About 3,5,5-trimethyl-N,N-bis(prop-2-enyl)hexanamide

3,5,5-trimethyl-N,N-bis(prop-2-enyl)hexanamide (PubChem CID 89285810) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3,5,5-trimethyl-N,N-bis(prop-2-enyl)hexanamide.

Molecular Properties

Compound Name3,5,5-trimethyl-N,N-bis(prop-2-enyl)hexanamide
PubChem CID89285810
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3,5,5-trimethyl-N,N-bis(prop-2-enyl)hexanamide
SMILESC=CCN(CC=C)C(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C15H27NO/c1-7-9-16(10-8-2)14(17)11-13(3)12-15(4,5)6/h7-8,13H,1-2,9-12H2,3-6H3
InChIKeyWZUGQRFRUXUEKH-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N,N-bis(prop-2-enyl)hexanamide?
The IUPAC name of 3,5,5-trimethyl-N,N-bis(prop-2-enyl)hexanamide (CID 89285810) is 3,5,5-trimethyl-N,N-bis(prop-2-enyl)hexanamide.
What is the SMILES notation for 3,5,5-trimethyl-N,N-bis(prop-2-enyl)hexanamide?
The canonical SMILES for 3,5,5-trimethyl-N,N-bis(prop-2-enyl)hexanamide is C=CCN(CC=C)C(=O)CC(C)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-N,N-bis(prop-2-enyl)hexanamide?
The InChIKey is WZUGQRFRUXUEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-7-9-16(10-8-2)14(17)11-13(3)12-15(4,5)6/h7-8,13H,1-2,9-12H2,3-6H3.
What are the key properties of 3,5,5-trimethyl-N,N-bis(prop-2-enyl)hexanamide?
3,5,5-trimethyl-N,N-bis(prop-2-enyl)hexanamide has a molecular weight of 237.39 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N,N-bis(prop-2-enyl)hexanamide is sourced from PubChem (CID 89285810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).