6-aminocyclohexa-1,5-dien-1-ol;ethane

C8H15NO — CID 142347493

IUPAC6-aminocyclohexa-1,5-dien-1-ol;ethane
SMILESCC.NC1=CCCC=C1O
InChIInChI=1S/C6H9NO.C2H6/c7-5-3-1-2-4-6(5)8;1-2/h3-4,8H,1-2,7H2;1-2H3
InChIKeySRODRNWMSCELJW-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.09
Rot. Bonds

About 6-aminocyclohexa-1,5-dien-1-ol;ethane

6-aminocyclohexa-1,5-dien-1-ol;ethane (PubChem CID 142347493) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 6-aminocyclohexa-1,5-dien-1-ol;ethane.

Molecular Properties

Compound Name6-aminocyclohexa-1,5-dien-1-ol;ethane
PubChem CID142347493
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name6-aminocyclohexa-1,5-dien-1-ol;ethane
SMILESCC.NC1=CCCC=C1O
InChIInChI=1S/C6H9NO.C2H6/c7-5-3-1-2-4-6(5)8;1-2/h3-4,8H,1-2,7H2;1-2H3
InChIKeySRODRNWMSCELJW-UHFFFAOYSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Amino-4-fluorocyclohexa-1,5-dien-1-ol
CID 164109483
6-Aminocyclohexa-1,5-dien-1-ol
CID 23116172
5-Aminocyclopenta-1,4-dien-1-ol
CID 54193764
2-Amino-3,4,6-trimethylbenzene-5-id-1-ol;bis(yttrium)
CID 59973164
2-Amino-3,4,6-trimethylbenzene-5-id-1-ol;yttrium
CID 59973165
2-Amino-3,4-dimethylbenzene-6-id-1-ol;yttrium
CID 60070095
5-Aminocyclohexa-1,5-dien-1-ol
CID 68302232
(2E,4E)-4-amino-7-methylocta-2,4,7-trien-3-ol
CID 89010550
6-Amino-3-methylcyclohexa-1,5-dien-1-ol
CID 89058605
6-(Aminodiazenyl)cyclohexa-1,5-dien-1-ol
CID 89513725
6-Amino-4-methylidenecyclohexa-1,5-dien-1-ol
CID 130217232
(2E,4E)-4-amino-6-methylhepta-2,4,6-trien-3-ol
CID 132032641

Frequently Asked Questions

What is the IUPAC name of 6-aminocyclohexa-1,5-dien-1-ol;ethane?
The IUPAC name of 6-aminocyclohexa-1,5-dien-1-ol;ethane (CID 142347493) is 6-aminocyclohexa-1,5-dien-1-ol;ethane.
What is the SMILES notation for 6-aminocyclohexa-1,5-dien-1-ol;ethane?
The canonical SMILES for 6-aminocyclohexa-1,5-dien-1-ol;ethane is CC.NC1=CCCC=C1O.
What is the InChIKey of 6-aminocyclohexa-1,5-dien-1-ol;ethane?
The InChIKey is SRODRNWMSCELJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C2H6/c7-5-3-1-2-4-6(5)8;1-2/h3-4,8H,1-2,7H2;1-2H3.
What are the key properties of 6-aminocyclohexa-1,5-dien-1-ol;ethane?
6-aminocyclohexa-1,5-dien-1-ol;ethane has a molecular weight of 141.21 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminocyclohexa-1,5-dien-1-ol;ethane is sourced from PubChem (CID 142347493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).