4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-ol

C9H15NO — CID 143147802

IUPAC4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-ol
SMILESCNCCC1=CC=C(O)CC1
InChIInChI=1S/C9H15NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2,4,10-11H,3,5-7H2,1H3
InChIKeyWIBCOEJJLGBERE-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.76
Rot. Bonds3

About 4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-ol

4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-ol (PubChem CID 143147802) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-ol
PubChem CID143147802
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-ol
SMILESCNCCC1=CC=C(O)CC1
InChIInChI=1S/C9H15NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2,4,10-11H,3,5-7H2,1H3
InChIKeyWIBCOEJJLGBERE-UHFFFAOYSA-N
XLogP1.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3H-Tyramine
CID 129638138
2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123146933
3h-Tyramine hydrochloride
CID 129718303
N-[2-(4-hydroxycyclohexa-1,3-dien-1-yl)ethyl]formamide
CID 89347301
4-[5-(Methylamino)pentan-2-yl]cyclohexa-1,3-dien-1-ol
CID 89635913
5-Methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol
CID 126729744
(2E)-9-(methylamino)-7-methylidene-6-propylnona-2,5-dien-3-ol
CID 142933402
3-(Methylaminomethyl)cyclohexa-1,3-dien-1-ol
CID 143349340
3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbut-3-en-1-amine
CID 145385143
4-[2-Methyl-4-(methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol
CID 145385266
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-ol (CID 143147802) is 4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-ol is CNCCC1=CC=C(O)CC1.
What is the InChIKey of 4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-ol?
The InChIKey is WIBCOEJJLGBERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2,4,10-11H,3,5-7H2,1H3.
What are the key properties of 4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-ol?
4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-ol has a molecular weight of 153.22 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethyl]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 143147802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).