3-(2-aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol

C9H15NO — CID 118146993

IUPAC3-(2-aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC1C=CC(CCN)=CC1O
InChIInChI=1S/C9H15NO/c1-7-2-3-8(4-5-10)6-9(7)11/h2-3,6-7,9,11H,4-5,10H2,1H3
InChIKeyZYIIILBKFWHYTP-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.83
Rot. Bonds2

About 3-(2-aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol

3-(2-aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 118146993) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-(2-aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID118146993
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-(2-aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC1C=CC(CCN)=CC1O
InChIInChI=1S/C9H15NO/c1-7-2-3-8(4-5-10)6-9(7)11/h2-3,6-7,9,11H,4-5,10H2,1H3
InChIKeyZYIIILBKFWHYTP-UHFFFAOYSA-N
XLogP0.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 69576112
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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 3-(2-aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol (CID 118146993) is 3-(2-aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 3-(2-aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 3-(2-aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol is CC1C=CC(CCN)=CC1O.
What is the InChIKey of 3-(2-aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is ZYIIILBKFWHYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-2-3-8(4-5-10)6-9(7)11/h2-3,6-7,9,11H,4-5,10H2,1H3.
What are the key properties of 3-(2-aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol?
3-(2-aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-6-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 118146993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).