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6-methyl-2-[1-(methylamino)ethenyl]-N-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-amine

C15H24N2 — CID 155415794

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-methyl-2-[1-(methylamino)ethenyl]-N-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-amine
SMILESC=C(NC)C1=C(NC(=C)C(C)C)C(C)CC=C1
InChIInChI=1S/C15H24N2/c1-10(2)12(4)17-15-11(3)8-7-9-14(15)13(5)16-6/h7,9-11,16-17H,4-5,8H2,1-3,6H3
InChIKeyLOYFXMJWGMSUFW-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.33
Rot. Bonds5

About 6-methyl-2-[1-(methylamino)ethenyl]-N-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-amine

6-methyl-2-[1-(methylamino)ethenyl]-N-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-amine (PubChem CID 155415794) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 6-methyl-2-[1-(methylamino)ethenyl]-N-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-methyl-2-[1-(methylamino)ethenyl]-N-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-amine
PubChem CID155415794
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name6-methyl-2-[1-(methylamino)ethenyl]-N-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-amine
SMILESC=C(NC)C1=C(NC(=C)C(C)C)C(C)CC=C1
InChIInChI=1S/C15H24N2/c1-10(2)12(4)17-15-11(3)8-7-9-14(15)13(5)16-6/h7,9-11,16-17H,4-5,8H2,1-3,6H3
InChIKeyLOYFXMJWGMSUFW-UHFFFAOYSA-N
XLogP3.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[1-(methylamino)ethenyl]-N-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-methyl-2-[1-(methylamino)ethenyl]-N-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-amine (CID 155415794) is 6-methyl-2-[1-(methylamino)ethenyl]-N-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-methyl-2-[1-(methylamino)ethenyl]-N-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-methyl-2-[1-(methylamino)ethenyl]-N-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-amine is C=C(NC)C1=C(NC(=C)C(C)C)C(C)CC=C1.
What is the InChIKey of 6-methyl-2-[1-(methylamino)ethenyl]-N-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-amine?
The InChIKey is LOYFXMJWGMSUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10(2)12(4)17-15-11(3)8-7-9-14(15)13(5)16-6/h7,9-11,16-17H,4-5,8H2,1-3,6H3.
What are the key properties of 6-methyl-2-[1-(methylamino)ethenyl]-N-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-amine?
6-methyl-2-[1-(methylamino)ethenyl]-N-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[1-(methylamino)ethenyl]-N-(3-methylbut-1-en-2-yl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 155415794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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