2-(1-methylcyclohexa-2,4-dien-1-yl)oxyethanamine

C9H15NO — CID 89093675

IUPAC2-(1-methylcyclohexa-2,4-dien-1-yl)oxyethanamine
SMILESCC1(OCCN)C=CC=CC1
InChIInChI=1S/C9H15NO/c1-9(11-8-7-10)5-3-2-4-6-9/h2-5H,6-8,10H2,1H3
InChIKeyVENYFMCQCSYPBF-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.24
Rot. Bonds3

About 2-(1-methylcyclohexa-2,4-dien-1-yl)oxyethanamine

2-(1-methylcyclohexa-2,4-dien-1-yl)oxyethanamine (PubChem CID 89093675) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(1-methylcyclohexa-2,4-dien-1-yl)oxyethanamine.

Molecular Properties

Compound Name2-(1-methylcyclohexa-2,4-dien-1-yl)oxyethanamine
PubChem CID89093675
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(1-methylcyclohexa-2,4-dien-1-yl)oxyethanamine
SMILESCC1(OCCN)C=CC=CC1
InChIInChI=1S/C9H15NO/c1-9(11-8-7-10)5-3-2-4-6-9/h2-5H,6-8,10H2,1H3
InChIKeyVENYFMCQCSYPBF-UHFFFAOYSA-N
XLogP1.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexa-2,4-dien-1-yl)oxyethanamine?
The IUPAC name of 2-(1-methylcyclohexa-2,4-dien-1-yl)oxyethanamine (CID 89093675) is 2-(1-methylcyclohexa-2,4-dien-1-yl)oxyethanamine.
What is the SMILES notation for 2-(1-methylcyclohexa-2,4-dien-1-yl)oxyethanamine?
The canonical SMILES for 2-(1-methylcyclohexa-2,4-dien-1-yl)oxyethanamine is CC1(OCCN)C=CC=CC1.
What is the InChIKey of 2-(1-methylcyclohexa-2,4-dien-1-yl)oxyethanamine?
The InChIKey is VENYFMCQCSYPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(11-8-7-10)5-3-2-4-6-9/h2-5H,6-8,10H2,1H3.
What are the key properties of 2-(1-methylcyclohexa-2,4-dien-1-yl)oxyethanamine?
2-(1-methylcyclohexa-2,4-dien-1-yl)oxyethanamine has a molecular weight of 153.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexa-2,4-dien-1-yl)oxyethanamine is sourced from PubChem (CID 89093675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).