2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine

C9H15N — CID 89113443

IUPAC2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine
SMILESCC1C=CC(CCN)=CC1
InChIInChI=1S/C9H15N/c1-8-2-4-9(5-3-8)6-7-10/h2,4-5,8H,3,6-7,10H2,1H3
InChIKeyGRQBAXZGIRUSOG-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.86
Rot. Bonds2

About 2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine

2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine (PubChem CID 89113443) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine
PubChem CID89113443
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine
SMILESCC1C=CC(CCN)=CC1
InChIInChI=1S/C9H15N/c1-8-2-4-9(5-3-8)6-7-10/h2,4-5,8H,3,6-7,10H2,1H3
InChIKeyGRQBAXZGIRUSOG-UHFFFAOYSA-N
XLogP1.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine?
The IUPAC name of 2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine (CID 89113443) is 2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine.
What is the SMILES notation for 2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine?
The canonical SMILES for 2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine is CC1C=CC(CCN)=CC1.
What is the InChIKey of 2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine?
The InChIKey is GRQBAXZGIRUSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-8-2-4-9(5-3-8)6-7-10/h2,4-5,8H,3,6-7,10H2,1H3.
What are the key properties of 2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine?
2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine has a molecular weight of 137.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine is sourced from PubChem (CID 89113443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).