N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride

C19H22ClN — CID 12507138

IUPACN,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride
SMILESCN(C)CCC12CC(c3ccccc31)c1ccccc12.Cl
InChIInChI=1S/C19H21N.ClH/c1-20(2)12-11-19-13-16(14-7-3-5-9-17(14)19)15-8-4-6-10-18(15)19;/h3-10,16H,11-13H2,1-2H3;1H
InChIKeyOAJRZORPBVSUEX-UHFFFAOYSA-N
MW299.85 g/mol
LogP4.20
Rot. Bonds3

About N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride

N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride (PubChem CID 12507138) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride
PubChem CID12507138
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC NameN,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride
SMILESCN(C)CCC12CC(c3ccccc31)c1ccccc12.Cl
InChIInChI=1S/C19H21N.ClH/c1-20(2)12-11-19-13-16(14-7-3-5-9-17(14)19)15-8-4-6-10-18(15)19;/h3-10,16H,11-13H2,1-2H3;1H
InChIKeyOAJRZORPBVSUEX-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride (CID 12507138) is N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride is CN(C)CCC12CC(c3ccccc31)c1ccccc12.Cl.
What is the InChIKey of N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride?
The InChIKey is OAJRZORPBVSUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N.ClH/c1-20(2)12-11-19-13-16(14-7-3-5-9-17(14)19)15-8-4-6-10-18(15)19;/h3-10,16H,11-13H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride?
N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride has a molecular weight of 299.85 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)ethanamine;hydrochloride is sourced from PubChem (CID 12507138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).