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

C14H18ClN — CID 156565554

IUPAC9-methyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride
SMILESCC1=CC2c3ccccc3C1N2C(C)C.Cl
InChIInChI=1S/C14H17N.ClH/c1-9(2)15-13-8-10(3)14(15)12-7-5-4-6-11(12)13;/h4-9,13-14H,1-3H3;1H
InChIKeyOUIFPYVUJJOVMG-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.87
Rot. Bonds1

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

9-methyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride (PubChem CID 156565554) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 9-methyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride.

Molecular Properties

Compound Name9-methyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride
PubChem CID156565554
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name9-methyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride
SMILESCC1=CC2c3ccccc3C1N2C(C)C.Cl
InChIInChI=1S/C14H17N.ClH/c1-9(2)15-13-8-10(3)14(15)12-7-5-4-6-11(12)13;/h4-9,13-14H,1-3H3;1H
InChIKeyOUIFPYVUJJOVMG-UHFFFAOYSA-N
XLogP3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride
CID 156565540
9,10-dimethyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 156565598
(1R,8R)-9,12-dimethyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6,11-tetraen-10-one
CID 98478513
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
(2R)-1-methyl-2-(2-methylphenyl)-4-propan-2-yl-2H-pyridine
CID 134525295
3-(1-propan-2-ylpiperidin-4-yl)-1H-pyridin-2-one
CID 176693124
(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
15,16-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
CID 15668870
(2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine
CID 25150642
2,6-dimethyl-4-phenyl-1-propan-2-ylpiperazine
CID 166503562

Frequently Asked Questions

What is the IUPAC name of 9-methyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride?
The IUPAC name of 9-methyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride (CID 156565554) is 9-methyl-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-methyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride?
The canonical SMILES for 9-methyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride is CC1=CC2c3ccccc3C1N2C(C)C.Cl.
What is the InChIKey of 9-methyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride?
The InChIKey is OUIFPYVUJJOVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.ClH/c1-9(2)15-13-8-10(3)14(15)12-7-5-4-6-11(12)13;/h4-9,13-14H,1-3H3;1H.
What are the key properties of 9-methyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride?
9-methyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride has a molecular weight of 235.76 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-11-propan-2-yl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene;hydrochloride is sourced from PubChem (CID 156565554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).