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

C9H15NO — CID 163576158

IUPAC4-(2-aminoethyl)-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC1CC(CCN)=CC=C1O
InChIInChI=1S/C9H15NO/c1-7-6-8(4-5-10)2-3-9(7)11/h2-3,7,11H,4-6,10H2,1H3
InChIKeyGDQDFMLVBXOWET-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.74
Rot. Bonds2

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

4-(2-aminoethyl)-6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 163576158) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-(2-aminoethyl)-6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-6-methylcyclohexa-1,3-dien-1-ol
PubChem CID163576158
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-(2-aminoethyl)-6-methylcyclohexa-1,3-dien-1-ol
SMILESCC1CC(CCN)=CC=C1O
InChIInChI=1S/C9H15NO/c1-7-6-8(4-5-10)2-3-9(7)11/h2-3,7,11H,4-6,10H2,1H3
InChIKeyGDQDFMLVBXOWET-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 129638138
3h-Tyramine hydrochloride
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4-(2-Aminoethyl)cyclohexa-1,3-diene-1,2-diol
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4-(2-Aminoethyl)cyclohexen-1-ol
CID 89194771
1-Amino-4-cyclohexa-1,5-dien-1-ylpentan-1-ol
CID 91325232
5-(3-Aminopropyl)cyclohexa-1,3-dien-1-ol
CID 130282839
4-[2-(Methylamino)ethyl]cyclohexa-1,3-dien-1-ol
CID 143147802
(E)-9-amino-8-methylnon-4-en-5-ol;ethane
CID 145524613
4-(2-Aminoethyl)-2-methylcyclohexa-1,3-dien-1-ol
CID 147371898
4-Tert-butyl-6-(methylaminomethyl)cyclohexa-1,3-dien-1-ol
CID 155067841
4-[4-(Methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol
CID 162725811

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-(2-aminoethyl)-6-methylcyclohexa-1,3-dien-1-ol (CID 163576158) is 4-(2-aminoethyl)-6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-(2-aminoethyl)-6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-(2-aminoethyl)-6-methylcyclohexa-1,3-dien-1-ol is CC1CC(CCN)=CC=C1O.
What is the InChIKey of 4-(2-aminoethyl)-6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is GDQDFMLVBXOWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-6-8(4-5-10)2-3-9(7)11/h2-3,7,11H,4-6,10H2,1H3.
What are the key properties of 4-(2-aminoethyl)-6-methylcyclohexa-1,3-dien-1-ol?
4-(2-aminoethyl)-6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-6-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 163576158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).