ethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol

C12H24N2O — CID 145255918

IUPACethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol
SMILESCC.CCNCCNC1C=CC(O)=CC1
InChIInChI=1S/C10H18N2O.C2H6/c1-2-11-7-8-12-9-3-5-10(13)6-4-9;1-2/h3,5-6,9,11-13H,2,4,7-8H2,1H3;1-2H3
InChIKeyAMYPWEBJXCGEPC-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.98
Rot. Bonds5

About ethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol

ethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol (PubChem CID 145255918) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is ethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Nameethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol
PubChem CID145255918
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Nameethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol
SMILESCC.CCNCCNC1C=CC(O)=CC1
InChIInChI=1S/C10H18N2O.C2H6/c1-2-11-7-8-12-9-3-5-10(13)6-4-9;1-2/h3,5-6,9,11-13H,2,4,7-8H2,1H3;1-2H3
InChIKeyAMYPWEBJXCGEPC-UHFFFAOYSA-N
XLogP1.98
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Piperazin-1-ylcyclohexa-2,4-dien-1-ol
CID 67922404
4-(4-Methylpiperazin-1-yl)cyclohexa-1,5-dien-1-ol
CID 89053941
(4R)-4-(methylamino)cyclohexa-1,5-dien-1-ol
CID 89234266
4-Piperazin-1-ylcyclohexa-1,5-dien-1-ol
CID 89307926
4-(Methylamino)cyclohexa-1,5-dien-1-ol
CID 118369981
(2E,4E,6Z)-1-(propan-2-ylamino)-5-prop-1-en-2-ylnona-2,4,6,8-tetraen-4-ol
CID 126583250
5-Methyl-4-[2-(propylamino)ethylamino]cyclohexa-1,5-dien-1-ol
CID 131995634
(2E,4Z)-4-[(2-aminopropylamino)methyl]hepta-2,4,6-trien-3-ol
CID 138698311
(3E,5Z,7E)-7-piperazin-1-ylnona-3,5,7-trien-4-ol
CID 141950519
(2Z,4E,6E,8R)-8-(ethylamino)-7-methylnona-2,4,6-trien-4-ol
CID 142924430
(3E,5Z)-4-[(1S)-1-(methylamino)ethyl]octa-1,3,5-trien-2-ol
CID 143401875
2-[(2-Aminoethylamino)methyl]-6-methylbenzene-4-id-1-ol;ethane;promethium
CID 145658499

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol?
The IUPAC name of ethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol (CID 145255918) is ethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for ethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol?
The canonical SMILES for ethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol is CC.CCNCCNC1C=CC(O)=CC1.
What is the InChIKey of ethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol?
The InChIKey is AMYPWEBJXCGEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C2H6/c1-2-11-7-8-12-9-3-5-10(13)6-4-9;1-2/h3,5-6,9,11-13H,2,4,7-8H2,1H3;1-2H3.
What are the key properties of ethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol?
ethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol has a molecular weight of 212.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-(ethylamino)ethylamino]cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 145255918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).