N,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride

C19H21ClN2O — CID 3044573

IUPACN,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride
SMILESCN(C)CCc1cc2cccc3c2n1-c1ccccc1OC3.Cl
InChIInChI=1S/C19H20N2O.ClH/c1-20(2)11-10-16-12-14-6-5-7-15-13-22-18-9-4-3-8-17(18)21(16)19(14)15;/h3-9,12H,10-11,13H2,1-2H3;1H
InChIKeyLQBRNJWURDQJDJ-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.05
Rot. Bonds3

About N,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride

N,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride (PubChem CID 3044573) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride
PubChem CID3044573
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride
SMILESCN(C)CCc1cc2cccc3c2n1-c1ccccc1OC3.Cl
InChIInChI=1S/C19H20N2O.ClH/c1-20(2)11-10-16-12-14-6-5-7-15-13-22-18-9-4-3-8-17(18)21(16)19(14)15;/h3-9,12H,10-11,13H2,1-2H3;1H
InChIKeyLQBRNJWURDQJDJ-UHFFFAOYSA-N
XLogP4.05
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride (CID 3044573) is N,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride is CN(C)CCc1cc2cccc3c2n1-c1ccccc1OC3.Cl.
What is the InChIKey of N,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride?
The InChIKey is LQBRNJWURDQJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O.ClH/c1-20(2)11-10-16-12-14-6-5-7-15-13-22-18-9-4-3-8-17(18)21(16)19(14)15;/h3-9,12H,10-11,13H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride?
N,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride is sourced from PubChem (CID 3044573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).