1,5-bis(ethylamino)cyclohexa-2,4-dien-1-ol

C10H18N2O — CID 86735100

IUPAC1,5-bis(ethylamino)cyclohexa-2,4-dien-1-ol
SMILESCCNC1=CC=CC(O)(NCC)C1
InChIInChI=1S/C10H18N2O/c1-3-11-9-6-5-7-10(13,8-9)12-4-2/h5-7,11-13H,3-4,8H2,1-2H3
InChIKeyOCFSXYPENNQVSC-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.74
Rot. Bonds4

About 1,5-bis(ethylamino)cyclohexa-2,4-dien-1-ol

1,5-bis(ethylamino)cyclohexa-2,4-dien-1-ol (PubChem CID 86735100) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1,5-bis(ethylamino)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,5-bis(ethylamino)cyclohexa-2,4-dien-1-ol
PubChem CID86735100
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1,5-bis(ethylamino)cyclohexa-2,4-dien-1-ol
SMILESCCNC1=CC=CC(O)(NCC)C1
InChIInChI=1S/C10H18N2O/c1-3-11-9-6-5-7-10(13,8-9)12-4-2/h5-7,11-13H,3-4,8H2,1-2H3
InChIKeyOCFSXYPENNQVSC-UHFFFAOYSA-N
XLogP0.74
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(ethylamino)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,5-bis(ethylamino)cyclohexa-2,4-dien-1-ol (CID 86735100) is 1,5-bis(ethylamino)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,5-bis(ethylamino)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,5-bis(ethylamino)cyclohexa-2,4-dien-1-ol is CCNC1=CC=CC(O)(NCC)C1.
What is the InChIKey of 1,5-bis(ethylamino)cyclohexa-2,4-dien-1-ol?
The InChIKey is OCFSXYPENNQVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-11-9-6-5-7-10(13,8-9)12-4-2/h5-7,11-13H,3-4,8H2,1-2H3.
What are the key properties of 1,5-bis(ethylamino)cyclohexa-2,4-dien-1-ol?
1,5-bis(ethylamino)cyclohexa-2,4-dien-1-ol has a molecular weight of 182.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(ethylamino)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 86735100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).