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

C9H15NO — CID 147371898

IUPAC4-(2-aminoethyl)-2-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=C(O)CCC(CCN)=C1
InChIInChI=1S/C9H15NO/c1-7-6-8(4-5-10)2-3-9(7)11/h6,11H,2-5,10H2,1H3
InChIKeyDJGMMDVKDNONRI-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.89
Rot. Bonds2

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

4-(2-aminoethyl)-2-methylcyclohexa-1,3-dien-1-ol (PubChem CID 147371898) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-methylcyclohexa-1,3-dien-1-ol
PubChem CID147371898
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-(2-aminoethyl)-2-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=C(O)CCC(CCN)=C1
InChIInChI=1S/C9H15NO/c1-7-6-8(4-5-10)2-3-9(7)11/h6,11H,2-5,10H2,1H3
InChIKeyDJGMMDVKDNONRI-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3H-Tyramine
CID 129638138
3h-Tyramine hydrochloride
CID 129718303
4-(2-Aminoethyl)cyclohexa-1,3-diene-1,2-diol
CID 21254509
4-(2-Aminoethyl)cyclohexen-1-ol
CID 89194771
5-(3-Aminopropyl)cyclohexa-1,3-dien-1-ol
CID 130282839
4-[2-(Methylamino)ethyl]cyclohexa-1,3-dien-1-ol
CID 143147802
Methanamine;4-methylcyclohexa-1,3-dien-1-ol
CID 145403463
2-(2-Aminoethyl)cyclohexa-1,3-dien-1-ol
CID 153221096
4-(2-Aminoethyl)-6-methylcyclohexa-1,3-dien-1-ol
CID 163576158
6-(Aminomethyl)-2,4-dimethylcyclohexa-1,3-dien-1-ol
CID 164141231
4-[(E)-4-(methylamino)but-2-en-2-yl]cyclohexa-1,3-dien-1-ol
CID 170978477
2-(4-Methoxycyclohexa-1,3-dien-1-yl)ethanamine
CID 45090907

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-(2-aminoethyl)-2-methylcyclohexa-1,3-dien-1-ol (CID 147371898) is 4-(2-aminoethyl)-2-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-(2-aminoethyl)-2-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-(2-aminoethyl)-2-methylcyclohexa-1,3-dien-1-ol is CC1=C(O)CCC(CCN)=C1.
What is the InChIKey of 4-(2-aminoethyl)-2-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is DJGMMDVKDNONRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-6-8(4-5-10)2-3-9(7)11/h6,11H,2-5,10H2,1H3.
What are the key properties of 4-(2-aminoethyl)-2-methylcyclohexa-1,3-dien-1-ol?
4-(2-aminoethyl)-2-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 147371898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).