2,2-bis(prop-2-enyl)hexanamide

C12H21NO — CID 87126840

IUPAC2,2-bis(prop-2-enyl)hexanamide
SMILESC=CCC(CC=C)(CCCC)C(N)=O
InChIInChI=1S/C12H21NO/c1-4-7-10-12(8-5-2,9-6-3)11(13)14/h5-6H,2-4,7-10H2,1H3,(H2,13,14)
InChIKeyIJXBKLJBASQBOS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.80
Rot. Bonds8

About 2,2-bis(prop-2-enyl)hexanamide

2,2-bis(prop-2-enyl)hexanamide (PubChem CID 87126840) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)hexanamide.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)hexanamide
PubChem CID87126840
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2,2-bis(prop-2-enyl)hexanamide
SMILESC=CCC(CC=C)(CCCC)C(N)=O
InChIInChI=1S/C12H21NO/c1-4-7-10-12(8-5-2,9-6-3)11(13)14/h5-6H,2-4,7-10H2,1H3,(H2,13,14)
InChIKeyIJXBKLJBASQBOS-UHFFFAOYSA-N
XLogP2.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Valdetamide
CID 68845
1-Methylcyclohex-3-ene-1-carboximidic acid
CID 3052840
1,4-Dimethylcyclohex-3-ene-1-carboximidic acid
CID 3052839
Propylallylacetamide
CID 146140
2,2-Dipropylpent-4-enamide
CID 71370443
Tri-allylacetamid
CID 87074718
2-Hexyl-4-pentenamide
CID 87610936
n-Propyl-diallylacetamid
CID 129891366
2-(1-Methylethyl)-2-(2-propen-1-yl)-4-pentenamide
CID 129891372
(1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide
CID 177059224
(2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide
CID 177059800
2,2,6-Trimethylhept-6-enamide
CID 15311311

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(prop-2-enyl)hexanamide?
The IUPAC name of 2,2-bis(prop-2-enyl)hexanamide (CID 87126840) is 2,2-bis(prop-2-enyl)hexanamide.
What is the SMILES notation for 2,2-bis(prop-2-enyl)hexanamide?
The canonical SMILES for 2,2-bis(prop-2-enyl)hexanamide is C=CCC(CC=C)(CCCC)C(N)=O.
What is the InChIKey of 2,2-bis(prop-2-enyl)hexanamide?
The InChIKey is IJXBKLJBASQBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-7-10-12(8-5-2,9-6-3)11(13)14/h5-6H,2-4,7-10H2,1H3,(H2,13,14).
What are the key properties of 2,2-bis(prop-2-enyl)hexanamide?
2,2-bis(prop-2-enyl)hexanamide has a molecular weight of 195.31 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)hexanamide is sourced from PubChem (CID 87126840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).