2-(1,1-dimethyl-3,4-dihydropyrano[3,4-b]indol-9-yl)-N,N-dimethylethanamine;hydrochloride

C17H25ClN2O — CID 3044867

IUPAC2-(1,1-dimethyl-3,4-dihydropyrano[3,4-b]indol-9-yl)-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCn1c2c(c3ccccc31)CCOC2(C)C.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-17(2)16-14(9-12-20-17)13-7-5-6-8-15(13)19(16)11-10-18(3)4;/h5-8H,9-12H2,1-4H3;1H
InChIKeyXOIAEFBESMBTHI-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.43
Rot. Bonds3

About 2-(1,1-dimethyl-3,4-dihydropyrano[3,4-b]indol-9-yl)-N,N-dimethylethanamine;hydrochloride

2-(1,1-dimethyl-3,4-dihydropyrano[3,4-b]indol-9-yl)-N,N-dimethylethanamine;hydrochloride (PubChem CID 3044867) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-(1,1-dimethyl-3,4-dihydropyrano[3,4-b]indol-9-yl)-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1,1-dimethyl-3,4-dihydropyrano[3,4-b]indol-9-yl)-N,N-dimethylethanamine;hydrochloride
PubChem CID3044867
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name2-(1,1-dimethyl-3,4-dihydropyrano[3,4-b]indol-9-yl)-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCn1c2c(c3ccccc31)CCOC2(C)C.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-17(2)16-14(9-12-20-17)13-7-5-6-8-15(13)19(16)11-10-18(3)4;/h5-8H,9-12H2,1-4H3;1H
InChIKeyXOIAEFBESMBTHI-UHFFFAOYSA-N
XLogP3.43
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dimethyl-3,4-dihydropyrano[3,4-b]indol-9-yl)-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-(1,1-dimethyl-3,4-dihydropyrano[3,4-b]indol-9-yl)-N,N-dimethylethanamine;hydrochloride (CID 3044867) is 2-(1,1-dimethyl-3,4-dihydropyrano[3,4-b]indol-9-yl)-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-(1,1-dimethyl-3,4-dihydropyrano[3,4-b]indol-9-yl)-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-(1,1-dimethyl-3,4-dihydropyrano[3,4-b]indol-9-yl)-N,N-dimethylethanamine;hydrochloride is CN(C)CCn1c2c(c3ccccc31)CCOC2(C)C.Cl.
What is the InChIKey of 2-(1,1-dimethyl-3,4-dihydropyrano[3,4-b]indol-9-yl)-N,N-dimethylethanamine;hydrochloride?
The InChIKey is XOIAEFBESMBTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c1-17(2)16-14(9-12-20-17)13-7-5-6-8-15(13)19(16)11-10-18(3)4;/h5-8H,9-12H2,1-4H3;1H.
What are the key properties of 2-(1,1-dimethyl-3,4-dihydropyrano[3,4-b]indol-9-yl)-N,N-dimethylethanamine;hydrochloride?
2-(1,1-dimethyl-3,4-dihydropyrano[3,4-b]indol-9-yl)-N,N-dimethylethanamine;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dimethyl-3,4-dihydropyrano[3,4-b]indol-9-yl)-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 3044867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).