2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

C13H22N2O — CID 83208640

IUPAC2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCN(C)CCn1cc2c(c1)C(O)CCCC2
InChIInChI=1S/C13H22N2O/c1-14(2)7-8-15-9-11-5-3-4-6-13(16)12(11)10-15/h9-10,13,16H,3-8H2,1-2H3
InChIKeyXESUPUKFWMAEAW-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.81
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 83208640) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID83208640
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESCN(C)CCn1cc2c(c1)C(O)CCCC2
InChIInChI=1S/C13H22N2O/c1-14(2)7-8-15-9-11-5-3-4-6-13(16)12(11)10-15/h9-10,13,16H,3-8H2,1-2H3
InChIKeyXESUPUKFWMAEAW-UHFFFAOYSA-N
XLogP1.81
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 83208640) is 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is CN(C)CCn1cc2c(c1)C(O)CCCC2.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is XESUPUKFWMAEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-14(2)7-8-15-9-11-5-3-4-6-13(16)12(11)10-15/h9-10,13,16H,3-8H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol has a molecular weight of 222.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 83208640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).