3-[2-(ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol

C11H19NO — CID 70333084

IUPAC3-[2-(ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol
SMILESCCNC1=C(CCCO)C=CCC1
InChIInChI=1S/C11H19NO/c1-2-12-11-8-4-3-6-10(11)7-5-9-13/h3,6,12-13H,2,4-5,7-9H2,1H3
InChIKeyYOYWBTKWYAPBHD-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.97
Rot. Bonds5

About 3-[2-(ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol

3-[2-(ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol (PubChem CID 70333084) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[2-(ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol
PubChem CID70333084
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-[2-(ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol
SMILESCCNC1=C(CCCO)C=CCC1
InChIInChI=1S/C11H19NO/c1-2-12-11-8-4-3-6-10(11)7-5-9-13/h3,6,12-13H,2,4-5,7-9H2,1H3
InChIKeyYOYWBTKWYAPBHD-UHFFFAOYSA-N
XLogP1.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol?
The IUPAC name of 3-[2-(ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol (CID 70333084) is 3-[2-(ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-(ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol is CCNC1=C(CCCO)C=CCC1.
What is the InChIKey of 3-[2-(ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol?
The InChIKey is YOYWBTKWYAPBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-12-11-8-4-3-6-10(11)7-5-9-13/h3,6,12-13H,2,4-5,7-9H2,1H3.
What are the key properties of 3-[2-(ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol?
3-[2-(ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)cyclohexa-1,5-dien-1-yl]propan-1-ol is sourced from PubChem (CID 70333084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).