2-(2-aminoethyl)cyclohexa-1,3-dien-1-ol

C8H13NO — CID 153221096

IUPAC2-(2-aminoethyl)cyclohexa-1,3-dien-1-ol
SMILESNCCC1=C(O)CCC=C1
InChIInChI=1S/C8H13NO/c9-6-5-7-3-1-2-4-8(7)10/h1,3,10H,2,4-6,9H2
InChIKeyWNRFMLDKWDKRIC-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.50
Rot. Bonds2

About 2-(2-aminoethyl)cyclohexa-1,3-dien-1-ol

2-(2-aminoethyl)cyclohexa-1,3-dien-1-ol (PubChem CID 153221096) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(2-aminoethyl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-(2-aminoethyl)cyclohexa-1,3-dien-1-ol
PubChem CID153221096
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(2-aminoethyl)cyclohexa-1,3-dien-1-ol
SMILESNCCC1=C(O)CCC=C1
InChIInChI=1S/C8H13NO/c9-6-5-7-3-1-2-4-8(7)10/h1,3,10H,2,4-6,9H2
InChIKeyWNRFMLDKWDKRIC-UHFFFAOYSA-N
XLogP1.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3H-Tyramine
CID 129638138
3h-Tyramine hydrochloride
CID 129718303
6-(Aminomethylidene)cyclohexa-1,3-dien-1-ol
CID 67159571
(3E,5E)-8-amino-6-methylocta-1,3,5-trien-3-ol
CID 89381343
3-(Aminomethyl)cyclohexa-1,3-dien-1-ol
CID 142460282
(3E)-7-amino-5-methylidenehepta-1,3-dien-3-ol
CID 142872806
(3E)-7-amino-5-methylidenehepta-1,3-dien-4-ol
CID 142872814
(2Z)-3-(2-aminoethyl)penta-2,4-dien-2-ol;ethane
CID 144672608
(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol;ethane
CID 145285922
(3E,5Z)-3-(2-aminoethyl)-5-methylhepta-1,3,5-trien-4-ol
CID 145606964
4-(2-Aminoethyl)-2-methylcyclohexa-1,3-dien-1-ol
CID 147371898
5-(Aminomethyl)cyclohexa-1,3-dien-1-ol
CID 163486992

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-(2-aminoethyl)cyclohexa-1,3-dien-1-ol (CID 153221096) is 2-(2-aminoethyl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-(2-aminoethyl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-(2-aminoethyl)cyclohexa-1,3-dien-1-ol is NCCC1=C(O)CCC=C1.
What is the InChIKey of 2-(2-aminoethyl)cyclohexa-1,3-dien-1-ol?
The InChIKey is WNRFMLDKWDKRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-6-5-7-3-1-2-4-8(7)10/h1,3,10H,2,4-6,9H2.
What are the key properties of 2-(2-aminoethyl)cyclohexa-1,3-dien-1-ol?
2-(2-aminoethyl)cyclohexa-1,3-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 153221096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).