N-ethyl-2-(2-methylprop-2-enyl)hex-5-enamide

C12H21NO — CID 89093050

IUPACN-ethyl-2-(2-methylprop-2-enyl)hex-5-enamide
SMILESC=CCCC(CC(=C)C)C(=O)NCC
InChIInChI=1S/C12H21NO/c1-5-7-8-11(9-10(3)4)12(14)13-6-2/h5,11H,1,3,6-9H2,2,4H3,(H,13,14)
InChIKeyGMKLJXQBPYZFCS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.67
Rot. Bonds7

About N-ethyl-2-(2-methylprop-2-enyl)hex-5-enamide

N-ethyl-2-(2-methylprop-2-enyl)hex-5-enamide (PubChem CID 89093050) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-ethyl-2-(2-methylprop-2-enyl)hex-5-enamide.

Molecular Properties

Compound NameN-ethyl-2-(2-methylprop-2-enyl)hex-5-enamide
PubChem CID89093050
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-ethyl-2-(2-methylprop-2-enyl)hex-5-enamide
SMILESC=CCCC(CC(=C)C)C(=O)NCC
InChIInChI=1S/C12H21NO/c1-5-7-8-11(9-10(3)4)12(14)13-6-2/h5,11H,1,3,6-9H2,2,4H3,(H,13,14)
InChIKeyGMKLJXQBPYZFCS-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.67
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

2-(2-cyclopropylethyl)-N-ethyl-4-methylpent-4-enamide
CID 89093747
N-ethyl-4-methyl-2-prop-2-enoxypent-4-enamide
CID 89093020
(2S)-N'-ethyl-3-(2-methylprop-2-enyl)-2-prop-2-enylbutanediamide
CID 89200891
N,4-dimethyl-2-prop-2-enylpent-4-enamide
CID 89102883
3-(ethylcarbamoyl)hexanoic acid
CID 112515142
8-methyl-5-prop-1-en-2-yldec-1-ene
CID 162195902
(5S,8R)-8-methyl-5-prop-1-en-2-yldec-1-ene
CID 162701561
3-propylhex-5-en-2-one
CID 87772070
3-(bromomethyl)-2-methylhepta-1,6-diene
CID 15714449
3-(2-hydroxyethyl)oct-7-en-2-one
CID 103343971
N-tert-butyl-2-(cyclopentylmethyl)hex-5-enamide;N-tert-butyl-2-(2,2-dimethylpropyl)hexanamide;N-tert-butyl-2-(2,2-dimethylpropyl)hex-5-enamide;N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide;N-tert-butyl-2-propan-2-ylhexanamide;N,2-ditert-butylhexanamide
CID 161467995
3-ethylhex-5-en-2-one
CID 58995117

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylprop-2-enyl)hex-5-enamide?
The IUPAC name of N-ethyl-2-(2-methylprop-2-enyl)hex-5-enamide (CID 89093050) is N-ethyl-2-(2-methylprop-2-enyl)hex-5-enamide.
What is the SMILES notation for N-ethyl-2-(2-methylprop-2-enyl)hex-5-enamide?
The canonical SMILES for N-ethyl-2-(2-methylprop-2-enyl)hex-5-enamide is C=CCCC(CC(=C)C)C(=O)NCC.
What is the InChIKey of N-ethyl-2-(2-methylprop-2-enyl)hex-5-enamide?
The InChIKey is GMKLJXQBPYZFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-7-8-11(9-10(3)4)12(14)13-6-2/h5,11H,1,3,6-9H2,2,4H3,(H,13,14).
What are the key properties of N-ethyl-2-(2-methylprop-2-enyl)hex-5-enamide?
N-ethyl-2-(2-methylprop-2-enyl)hex-5-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylprop-2-enyl)hex-5-enamide is sourced from PubChem (CID 89093050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).