N-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride

C27H29ClN2 — CID 3044575

IUPACN-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride
SMILESCc1c(CCN(C)Cc2ccccc2)n2c3c(cccc13)CCc1ccccc1-2.Cl
InChIInChI=1S/C27H28N2.ClH/c1-20-24-13-8-12-23-16-15-22-11-6-7-14-26(22)29(27(23)24)25(20)17-18-28(2)19-21-9-4-3-5-10-21;/h3-14H,15-19H2,1-2H3;1H
InChIKeyGOPRYIVHIWVUIE-UHFFFAOYSA-N
MW417.00 g/mol
LogP6.13
Rot. Bonds5

About N-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride

N-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride (PubChem CID 3044575) has the molecular formula C27H29ClN2 and a molecular weight of 417.00 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride
PubChem CID3044575
Molecular FormulaC27H29ClN2
Molecular Weight417.00 g/mol
Exact Mass416.20
IUPAC NameN-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride
SMILESCc1c(CCN(C)Cc2ccccc2)n2c3c(cccc13)CCc1ccccc1-2.Cl
InChIInChI=1S/C27H28N2.ClH/c1-20-24-13-8-12-23-16-15-22-11-6-7-14-26(22)29(27(23)24)25(20)17-18-28(2)19-21-9-4-3-5-10-21;/h3-14H,15-19H2,1-2H3;1H
InChIKeyGOPRYIVHIWVUIE-UHFFFAOYSA-N
XLogP6.13
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.00
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Iprindole
CID 21722
Rimcazole
CID 53389
Mebhydrolin
CID 22530
LE-300
CID 4350931
Avn-101
CID 42631003
N-ethyl carbazole
CID 6836
N-Vinylcarbazole
CID 15143
Pyrazidole
CID 115141
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
CID 4722579
1,1'-Diethyl-2,2'-cyanine iodide
CID 5484462
1-Methyl-2-phenylindole
CID 77095
Cryptolepine
CID 82143

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride?
The IUPAC name of N-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride (CID 3044575) is N-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride.
What is the SMILES notation for N-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride?
The canonical SMILES for N-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride is Cc1c(CCN(C)Cc2ccccc2)n2c3c(cccc13)CCc1ccccc1-2.Cl.
What is the InChIKey of N-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride?
The InChIKey is GOPRYIVHIWVUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2.ClH/c1-20-24-13-8-12-23-16-15-22-11-6-7-14-26(22)29(27(23)24)25(20)17-18-28(2)19-21-9-4-3-5-10-21;/h3-14H,15-19H2,1-2H3;1H.
What are the key properties of N-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride?
N-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride has a molecular weight of 417.00 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(15-methyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride is sourced from PubChem (CID 3044575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).