9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride

C15H20ClN — CID 156565540

IUPAC9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride
SMILESCC1=C(C)C2c3ccccc3C1N2C(C)C.Cl
InChIInChI=1S/C15H19N.ClH/c1-9(2)16-14-10(3)11(4)15(16)13-8-6-5-7-12(13)14;/h5-9,14-15H,1-4H3;1H
InChIKeyPESHNXNLWINCSW-UHFFFAOYSA-N
MW249.78 g/mol
LogP4.26
Rot. Bonds1

About 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride

9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride (PubChem CID 156565540) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride.

Molecular Properties

Compound Name9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride
PubChem CID156565540
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride
SMILESCC1=C(C)C2c3ccccc3C1N2C(C)C.Cl
InChIInChI=1S/C15H19N.ClH/c1-9(2)16-14-10(3)11(4)15(16)13-8-6-5-7-12(13)14;/h5-9,14-15H,1-4H3;1H
InChIKeyPESHNXNLWINCSW-UHFFFAOYSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;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

9-methyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride
CID 156565554
9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 156565598
15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
CID 15668870
3-chloro-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene;hydrochloride
CID 164900472
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
(2S,3R)-1-benzhydryl-2-methyl-3-(2-methylphenyl)aziridine
CID 59961059
5-methyl-3-naphthalen-1-yl-4-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 22341800
(2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine
CID 25150642
2,6-dimethyl-4-phenyl-1-propan-2-ylpiperazine
CID 166503562
N-[1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]ethyl]aniline
CID 154499955
3-(2-chlorophenyl)-1-propan-2-ylazetidine
CID 167307066
5-(2-methylphenyl)-2-propan-2-ylpyrazolidin-3-one
CID 105472926

Frequently Asked Questions

What is the IUPAC name of 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride?
The IUPAC name of 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride (CID 156565540) is 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride.
What is the SMILES notation for 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride?
The canonical SMILES for 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride is CC1=C(C)C2c3ccccc3C1N2C(C)C.Cl.
What is the InChIKey of 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride?
The InChIKey is PESHNXNLWINCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N.ClH/c1-9(2)16-14-10(3)11(4)15(16)13-8-6-5-7-12(13)14;/h5-9,14-15H,1-4H3;1H.
What are the key properties of 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride?
9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride has a molecular weight of 249.78 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride is sourced from PubChem (CID 156565540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).