(6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol

C8H13NO — CID 155216895

IUPAC(6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol
SMILESCC[C@@H]1CC(N)=CC=C1O
InChIInChI=1S/C8H13NO/c1-2-6-5-7(9)3-4-8(6)10/h3-4,6,10H,2,5,9H2,1H3/t6-/m1/s1
InChIKeyXSQAKSUYRKKKIF-ZCFIWIBFSA-N
MW139.20 g/mol
LogP1.70
Rot. Bonds1

About (6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol

(6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol (PubChem CID 155216895) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name(6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol
PubChem CID155216895
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol
SMILESCC[C@@H]1CC(N)=CC=C1O
InChIInChI=1S/C8H13NO/c1-2-6-5-7(9)3-4-8(6)10/h3-4,6,10H,2,5,9H2,1H3/t6-/m1/s1
InChIKeyXSQAKSUYRKKKIF-ZCFIWIBFSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-3-fluoro-5-methylcyclohexa-1,3-dien-1-ol
CID 143768450
6-[(Z)-1-aminoprop-1-enyl]cyclohexa-1,3-dien-1-ol
CID 67962900
1-(5-Aminocyclohexa-2,4-dien-1-yl)ethanol
CID 89073957
4-Amino-2-methylcyclohexa-1,3-dien-1-ol
CID 89152195
4-Aminocyclohexa-1,3-dien-1-ol;ethane
CID 141769449
6-Ethyl-4-methoxycyclohexa-1,3-dien-1-amine
CID 142115192
(2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol
CID 142908016
4-Amino-5-methylcyclohexa-1,3-dien-1-ol
CID 154542122
4-Amino-1,6-dimethylcyclohex-3-en-1-ol
CID 163725361
4,5,5-Triamino-6-ethylcyclohexa-1,3-dien-1-ol
CID 175567873
2-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-6-methylcyclohexa-1,3-dien-1-ol
CID 144658807

Frequently Asked Questions

What is the IUPAC name of (6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol?
The IUPAC name of (6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol (CID 155216895) is (6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for (6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for (6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol is CC[C@@H]1CC(N)=CC=C1O.
What is the InChIKey of (6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol?
The InChIKey is XSQAKSUYRKKKIF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-6-5-7(9)3-4-8(6)10/h3-4,6,10H,2,5,9H2,1H3/t6-/m1/s1.
What are the key properties of (6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol?
(6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-amino-6-ethylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 155216895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).