6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide

C13H21NO — CID 175839294

IUPAC6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide
SMILESCCCCC1C(C(N)=O)=CC=CC1(C)C
InChIInChI=1S/C13H21NO/c1-4-5-8-11-10(12(14)15)7-6-9-13(11,2)3/h6-7,9,11H,4-5,8H2,1-3H3,(H2,14,15)
InChIKeyIARTUSSWLQPXAX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.80
Rot. Bonds4

About 6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide

6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 175839294) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide
PubChem CID175839294
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide
SMILESCCCCC1C(C(N)=O)=CC=CC1(C)C
InChIInChI=1S/C13H21NO/c1-4-5-8-11-10(12(14)15)7-6-9-13(11,2)3/h6-7,9,11H,4-5,8H2,1-3H3,(H2,14,15)
InChIKeyIARTUSSWLQPXAX-UHFFFAOYSA-N
XLogP2.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-2-sulfanyl-2H-pyridine-3-carboxamide
CID 141330974
1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 152768164
5-cyano-5-methyl-6-phenylcyclohexa-1,3-diene-1-carboxamide
CID 129097262
2-butyl-5-tert-butyl-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 152677797
2,6-dichloro-6-pentylcyclohexa-2,4-diene-1-carboxylic acid
CID 71093592
(5-butyl-5-methylcyclohexa-1,3-dien-1-yl)sulfonylurea
CID 151549279
benzene-1,4-dicarboxamide;undecanamide
CID 175165478
1,6-dimethyl-5-tetradecylcyclohexa-2,4-diene-1-sulfonic acid
CID 175815721
pentanoic acid;urea;hydrochloride
CID 174794672
heptadecane;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 175287614
2-methyl-3-octacosyl-3H-1-benzothiophene-2-carboxylic acid
CID 87914635
2-methyl-1-propoxycyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 161217397

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide (CID 175839294) is 6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide is CCCCC1C(C(N)=O)=CC=CC1(C)C.
What is the InChIKey of 6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is IARTUSSWLQPXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-5-8-11-10(12(14)15)7-6-9-13(11,2)3/h6-7,9,11H,4-5,8H2,1-3H3,(H2,14,15).
What are the key properties of 6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide?
6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 207.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5,5-dimethylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 175839294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).