2-(dimethylamino)-9-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol

C14H22N2O — CID 167309107

IUPAC2-(dimethylamino)-9-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol
SMILESCCC1(O)CCCCc2ccc(N(C)C)nc21
InChIInChI=1S/C14H22N2O/c1-4-14(17)10-6-5-7-11-8-9-12(16(2)3)15-13(11)14/h8-9,17H,4-7,10H2,1-3H3
InChIKeyJQBLMMHGTWXMSR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.47
Rot. Bonds2

About 2-(dimethylamino)-9-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol

2-(dimethylamino)-9-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol (PubChem CID 167309107) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(dimethylamino)-9-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol.

Molecular Properties

Compound Name2-(dimethylamino)-9-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol
PubChem CID167309107
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(dimethylamino)-9-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol
SMILESCCC1(O)CCCCc2ccc(N(C)C)nc21
InChIInChI=1S/C14H22N2O/c1-4-14(17)10-6-5-7-11-8-9-12(16(2)3)15-13(11)14/h8-9,17H,4-7,10H2,1-3H3
InChIKeyJQBLMMHGTWXMSR-UHFFFAOYSA-N
XLogP2.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-9-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol?
The IUPAC name of 2-(dimethylamino)-9-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol (CID 167309107) is 2-(dimethylamino)-9-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol.
What is the SMILES notation for 2-(dimethylamino)-9-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol?
The canonical SMILES for 2-(dimethylamino)-9-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol is CCC1(O)CCCCc2ccc(N(C)C)nc21.
What is the InChIKey of 2-(dimethylamino)-9-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol?
The InChIKey is JQBLMMHGTWXMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-14(17)10-6-5-7-11-8-9-12(16(2)3)15-13(11)14/h8-9,17H,4-7,10H2,1-3H3.
What are the key properties of 2-(dimethylamino)-9-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol?
2-(dimethylamino)-9-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol has a molecular weight of 234.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-9-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol is sourced from PubChem (CID 167309107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).