5-methyl-N-[1-(1-methylpiperidin-4-yl)ethenyl]cyclohexa-2,4-dien-1-amine

C15H24N2 — CID 134297758

IUPAC5-methyl-N-[1-(1-methylpiperidin-4-yl)ethenyl]cyclohexa-2,4-dien-1-amine
SMILESC=C(NC1C=CC=C(C)C1)C1CCN(C)CC1
InChIInChI=1S/C15H24N2/c1-12-5-4-6-15(11-12)16-13(2)14-7-9-17(3)10-8-14/h4-6,14-16H,2,7-11H2,1,3H3
InChIKeyHJFJUYAXXLWMLR-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.71
Rot. Bonds3

About 5-methyl-N-[1-(1-methylpiperidin-4-yl)ethenyl]cyclohexa-2,4-dien-1-amine

5-methyl-N-[1-(1-methylpiperidin-4-yl)ethenyl]cyclohexa-2,4-dien-1-amine (PubChem CID 134297758) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-methyl-N-[1-(1-methylpiperidin-4-yl)ethenyl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(1-methylpiperidin-4-yl)ethenyl]cyclohexa-2,4-dien-1-amine
PubChem CID134297758
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name5-methyl-N-[1-(1-methylpiperidin-4-yl)ethenyl]cyclohexa-2,4-dien-1-amine
SMILESC=C(NC1C=CC=C(C)C1)C1CCN(C)CC1
InChIInChI=1S/C15H24N2/c1-12-5-4-6-15(11-12)16-13(2)14-7-9-17(3)10-8-14/h4-6,14-16H,2,7-11H2,1,3H3
InChIKeyHJFJUYAXXLWMLR-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(1-methylpiperidin-4-yl)ethenyl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 5-methyl-N-[1-(1-methylpiperidin-4-yl)ethenyl]cyclohexa-2,4-dien-1-amine (CID 134297758) is 5-methyl-N-[1-(1-methylpiperidin-4-yl)ethenyl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 5-methyl-N-[1-(1-methylpiperidin-4-yl)ethenyl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 5-methyl-N-[1-(1-methylpiperidin-4-yl)ethenyl]cyclohexa-2,4-dien-1-amine is C=C(NC1C=CC=C(C)C1)C1CCN(C)CC1.
What is the InChIKey of 5-methyl-N-[1-(1-methylpiperidin-4-yl)ethenyl]cyclohexa-2,4-dien-1-amine?
The InChIKey is HJFJUYAXXLWMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-5-4-6-15(11-12)16-13(2)14-7-9-17(3)10-8-14/h4-6,14-16H,2,7-11H2,1,3H3.
What are the key properties of 5-methyl-N-[1-(1-methylpiperidin-4-yl)ethenyl]cyclohexa-2,4-dien-1-amine?
5-methyl-N-[1-(1-methylpiperidin-4-yl)ethenyl]cyclohexa-2,4-dien-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(1-methylpiperidin-4-yl)ethenyl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 134297758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).