1,5-di(cyclopenta-1,3-dien-1-yl)-6-(methylamino)cyclohexa-2,4-dien-1-ol

C17H19NO — CID 175361702

IUPAC1,5-di(cyclopenta-1,3-dien-1-yl)-6-(methylamino)cyclohexa-2,4-dien-1-ol
SMILESCNC1C(C2=CC=CC2)=CC=CC1(O)C1=CC=CC1
InChIInChI=1S/C17H19NO/c1-18-16-15(13-7-2-3-8-13)11-6-12-17(16,19)14-9-4-5-10-14/h2-7,9,11-12,16,18-19H,8,10H2,1H3
InChIKeyCUPGAQLYFCDYRN-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.57
Rot. Bonds3

About 1,5-di(cyclopenta-1,3-dien-1-yl)-6-(methylamino)cyclohexa-2,4-dien-1-ol

1,5-di(cyclopenta-1,3-dien-1-yl)-6-(methylamino)cyclohexa-2,4-dien-1-ol (PubChem CID 175361702) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1,5-di(cyclopenta-1,3-dien-1-yl)-6-(methylamino)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,5-di(cyclopenta-1,3-dien-1-yl)-6-(methylamino)cyclohexa-2,4-dien-1-ol
PubChem CID175361702
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1,5-di(cyclopenta-1,3-dien-1-yl)-6-(methylamino)cyclohexa-2,4-dien-1-ol
SMILESCNC1C(C2=CC=CC2)=CC=CC1(O)C1=CC=CC1
InChIInChI=1S/C17H19NO/c1-18-16-15(13-7-2-3-8-13)11-6-12-17(16,19)14-9-4-5-10-14/h2-7,9,11-12,16,18-19H,8,10H2,1H3
InChIKeyCUPGAQLYFCDYRN-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-di(cyclopenta-1,3-dien-1-yl)-6-(methylamino)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,5-di(cyclopenta-1,3-dien-1-yl)-6-(methylamino)cyclohexa-2,4-dien-1-ol (CID 175361702) is 1,5-di(cyclopenta-1,3-dien-1-yl)-6-(methylamino)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,5-di(cyclopenta-1,3-dien-1-yl)-6-(methylamino)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,5-di(cyclopenta-1,3-dien-1-yl)-6-(methylamino)cyclohexa-2,4-dien-1-ol is CNC1C(C2=CC=CC2)=CC=CC1(O)C1=CC=CC1.
What is the InChIKey of 1,5-di(cyclopenta-1,3-dien-1-yl)-6-(methylamino)cyclohexa-2,4-dien-1-ol?
The InChIKey is CUPGAQLYFCDYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-18-16-15(13-7-2-3-8-13)11-6-12-17(16,19)14-9-4-5-10-14/h2-7,9,11-12,16,18-19H,8,10H2,1H3.
What are the key properties of 1,5-di(cyclopenta-1,3-dien-1-yl)-6-(methylamino)cyclohexa-2,4-dien-1-ol?
1,5-di(cyclopenta-1,3-dien-1-yl)-6-(methylamino)cyclohexa-2,4-dien-1-ol has a molecular weight of 253.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(cyclopenta-1,3-dien-1-yl)-6-(methylamino)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 175361702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).