6-butyl-6-(2,5-dimethylpyrrol-2-yl)cyclohexa-2,4-dien-1-amine

C16H24N2 — CID 69301413

IUPAC6-butyl-6-(2,5-dimethylpyrrol-2-yl)cyclohexa-2,4-dien-1-amine
SMILESCCCCC1(C2(C)C=CC(C)=N2)C=CC=CC1N
InChIInChI=1S/C16H24N2/c1-4-5-10-16(11-7-6-8-14(16)17)15(3)12-9-13(2)18-15/h6-9,11-12,14H,4-5,10,17H2,1-3H3
InChIKeyJCFGVRHMJSISOW-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.41
Rot. Bonds4

About 6-butyl-6-(2,5-dimethylpyrrol-2-yl)cyclohexa-2,4-dien-1-amine

6-butyl-6-(2,5-dimethylpyrrol-2-yl)cyclohexa-2,4-dien-1-amine (PubChem CID 69301413) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 6-butyl-6-(2,5-dimethylpyrrol-2-yl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-butyl-6-(2,5-dimethylpyrrol-2-yl)cyclohexa-2,4-dien-1-amine
PubChem CID69301413
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name6-butyl-6-(2,5-dimethylpyrrol-2-yl)cyclohexa-2,4-dien-1-amine
SMILESCCCCC1(C2(C)C=CC(C)=N2)C=CC=CC1N
InChIInChI=1S/C16H24N2/c1-4-5-10-16(11-7-6-8-14(16)17)15(3)12-9-13(2)18-15/h6-9,11-12,14H,4-5,10,17H2,1-3H3
InChIKeyJCFGVRHMJSISOW-UHFFFAOYSA-N
XLogP3.41
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-6-(2,5-dimethylpyrrol-2-yl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-butyl-6-(2,5-dimethylpyrrol-2-yl)cyclohexa-2,4-dien-1-amine (CID 69301413) is 6-butyl-6-(2,5-dimethylpyrrol-2-yl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-butyl-6-(2,5-dimethylpyrrol-2-yl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-butyl-6-(2,5-dimethylpyrrol-2-yl)cyclohexa-2,4-dien-1-amine is CCCCC1(C2(C)C=CC(C)=N2)C=CC=CC1N.
What is the InChIKey of 6-butyl-6-(2,5-dimethylpyrrol-2-yl)cyclohexa-2,4-dien-1-amine?
The InChIKey is JCFGVRHMJSISOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-5-10-16(11-7-6-8-14(16)17)15(3)12-9-13(2)18-15/h6-9,11-12,14H,4-5,10,17H2,1-3H3.
What are the key properties of 6-butyl-6-(2,5-dimethylpyrrol-2-yl)cyclohexa-2,4-dien-1-amine?
6-butyl-6-(2,5-dimethylpyrrol-2-yl)cyclohexa-2,4-dien-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-6-(2,5-dimethylpyrrol-2-yl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 69301413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).