N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide

C13H21NO — CID 134569543

IUPACN-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide
SMILESCCCC(=O)N(C)C1=C(C)C=CCC1C
InChIInChI=1S/C13H21NO/c1-5-7-12(15)14(4)13-10(2)8-6-9-11(13)3/h6,8,11H,5,7,9H2,1-4H3
InChIKeyUDGBSPUXCUUVDW-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.11
Rot. Bonds3

About N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide

N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide (PubChem CID 134569543) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide
PubChem CID134569543
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide
SMILESCCCC(=O)N(C)C1=C(C)C=CCC1C
InChIInChI=1S/C13H21NO/c1-5-7-12(15)14(4)13-10(2)8-6-9-11(13)3/h6,8,11H,5,7,9H2,1-4H3
InChIKeyUDGBSPUXCUUVDW-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N-butyl-2-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-(hydroxymethyl)butanamide
CID 71018306
2-ethoxy-3-methylcyclohexa-1,5-dien-1-ol
CID 142888173
ethyl 6-methyl-2-prop-2-enoyloxycyclohexa-1,3-diene-1-carboxylate
CID 171541480
N-methyl-N-(4-oxocyclohexyl)butanamide
CID 79120295
ethyl (E)-3-(4-formyl-8-methyl-7,8-dihydronaphthalen-1-yl)prop-2-enoate
CID 163745546
N-(2-chlorophenyl)-N-methylbutanamide
CID 12936039
N,N-dimethylbutanamide;hydrochloride
CID 87498306
acetylene;(5R)-5-methylcyclopent-2-en-1-one
CID 142013525
N-(aminomethyl)-N-methylbutanamide
CID 155070465
2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene
CID 91241824
N-[2-(dimethylamino)cycloheptyl]-N-(4-methylphenyl)butanamide
CID 20556387
CID 18739109
CID 18739109

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide?
The IUPAC name of N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide (CID 134569543) is N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide.
What is the SMILES notation for N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide?
The canonical SMILES for N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide is CCCC(=O)N(C)C1=C(C)C=CCC1C.
What is the InChIKey of N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide?
The InChIKey is UDGBSPUXCUUVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-7-12(15)14(4)13-10(2)8-6-9-11(13)3/h6,8,11H,5,7,9H2,1-4H3.
What are the key properties of N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide?
N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide has a molecular weight of 207.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-N-methylbutanamide is sourced from PubChem (CID 134569543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).