6-ethyl-N-(1-ethylpiperidin-4-yl)-7-methoxy-1,2,3,4,10,10a-hexahydroacridin-9-amine

C23H35N3O — CID 142531990

IUPAC6-ethyl-N-(1-ethylpiperidin-4-yl)-7-methoxy-1,2,3,4,10,10a-hexahydroacridin-9-amine
SMILESCCC1=CC2NC3=C(CCCC3)C(NC3CCN(CC)CC3)=C2C=C1OC
InChIInChI=1S/C23H35N3O/c1-4-16-14-21-19(15-22(16)27-3)23(18-8-6-7-9-20(18)25-21)24-17-10-12-26(5-2)13-11-17/h14-15,17,21,24-25H,4-13H2,1-3H3
InChIKeyMCQWPPNHBOECCJ-UHFFFAOYSA-N
MW369.55 g/mol
LogP3.99
Rot. Bonds5

About 6-ethyl-N-(1-ethylpiperidin-4-yl)-7-methoxy-1,2,3,4,10,10a-hexahydroacridin-9-amine

6-ethyl-N-(1-ethylpiperidin-4-yl)-7-methoxy-1,2,3,4,10,10a-hexahydroacridin-9-amine (PubChem CID 142531990) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is 6-ethyl-N-(1-ethylpiperidin-4-yl)-7-methoxy-1,2,3,4,10,10a-hexahydroacridin-9-amine.

Molecular Properties

Compound Name6-ethyl-N-(1-ethylpiperidin-4-yl)-7-methoxy-1,2,3,4,10,10a-hexahydroacridin-9-amine
PubChem CID142531990
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name6-ethyl-N-(1-ethylpiperidin-4-yl)-7-methoxy-1,2,3,4,10,10a-hexahydroacridin-9-amine
SMILESCCC1=CC2NC3=C(CCCC3)C(NC3CCN(CC)CC3)=C2C=C1OC
InChIInChI=1S/C23H35N3O/c1-4-16-14-21-19(15-22(16)27-3)23(18-8-6-7-9-20(18)25-21)24-17-10-12-26(5-2)13-11-17/h14-15,17,21,24-25H,4-13H2,1-3H3
InChIKeyMCQWPPNHBOECCJ-UHFFFAOYSA-N
XLogP3.99
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(1-ethylpiperidin-4-yl)-7-methoxy-1,2,3,4,10,10a-hexahydroacridin-9-amine?
The IUPAC name of 6-ethyl-N-(1-ethylpiperidin-4-yl)-7-methoxy-1,2,3,4,10,10a-hexahydroacridin-9-amine (CID 142531990) is 6-ethyl-N-(1-ethylpiperidin-4-yl)-7-methoxy-1,2,3,4,10,10a-hexahydroacridin-9-amine.
What is the SMILES notation for 6-ethyl-N-(1-ethylpiperidin-4-yl)-7-methoxy-1,2,3,4,10,10a-hexahydroacridin-9-amine?
The canonical SMILES for 6-ethyl-N-(1-ethylpiperidin-4-yl)-7-methoxy-1,2,3,4,10,10a-hexahydroacridin-9-amine is CCC1=CC2NC3=C(CCCC3)C(NC3CCN(CC)CC3)=C2C=C1OC.
What is the InChIKey of 6-ethyl-N-(1-ethylpiperidin-4-yl)-7-methoxy-1,2,3,4,10,10a-hexahydroacridin-9-amine?
The InChIKey is MCQWPPNHBOECCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c1-4-16-14-21-19(15-22(16)27-3)23(18-8-6-7-9-20(18)25-21)24-17-10-12-26(5-2)13-11-17/h14-15,17,21,24-25H,4-13H2,1-3H3.
What are the key properties of 6-ethyl-N-(1-ethylpiperidin-4-yl)-7-methoxy-1,2,3,4,10,10a-hexahydroacridin-9-amine?
6-ethyl-N-(1-ethylpiperidin-4-yl)-7-methoxy-1,2,3,4,10,10a-hexahydroacridin-9-amine has a molecular weight of 369.55 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(1-ethylpiperidin-4-yl)-7-methoxy-1,2,3,4,10,10a-hexahydroacridin-9-amine is sourced from PubChem (CID 142531990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).