4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane

C16H22N2 — CID 162296775

IUPAC4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane
SMILESCc1ccccc1C12CC3CN(CN(C3)C1C)C2
InChIInChI=1S/C16H22N2/c1-12-5-3-4-6-15(12)16-7-14-8-17(10-16)11-18(9-14)13(16)2/h3-6,13-14H,7-11H2,1-2H3
InChIKeyVNNKSQCDQLECAX-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.23
Rot. Bonds1

About 4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane

4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane (PubChem CID 162296775) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane
PubChem CID162296775
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane
SMILESCc1ccccc1C12CC3CN(CN(C3)C1C)C2
InChIInChI=1S/C16H22N2/c1-12-5-3-4-6-15(12)16-7-14-8-17(10-16)11-18(9-14)13(16)2/h3-6,13-14H,7-11H2,1-2H3
InChIKeyVNNKSQCDQLECAX-UHFFFAOYSA-N
XLogP2.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane
CID 137454780
(2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine
CID 25150644
2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];6-methyl-7-(1-methylpyrrol-2-yl)-1,3,5-triazatricyclo[3.3.1.13,7]decane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane
CID 162297139
(3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol
CID 125426094
2-methyl-1-(2-methylphenyl)cyclopropane-1-carboxylic acid
CID 83483787
1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene
CID 102395819
(10R)-8,10-dimethyl-9-(1-methylpyrrol-2-yl)-1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene;2-methyl-3-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane;bis(4-methyl-5-(1-methylpyrrol-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decane);9-methyl-5-(1-methylpyrrol-2-yl)spiro[1-azatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane];2,4,6-trimethyl-3-(1-methylpyrrol-2-yl)-1-azabicyclo[2.2.2]octane;2,2,9-trimethyl-5-(1-methylpyrrol-2-yl)-1-azatricyclo[3.3.1.13,7]decane
CID 162295113
1-(2-methylphenyl)-5-azabicyclo[2.1.1]hexane
CID 115059472
2-methyl-1-(2-methylphenyl)spiro[2H-indole-3,5'-tetracyclo[7.3.1.04,11.06,11]tridecane]
CID 162297013
2,2-bis(2-methylphenyl)adamantane
CID 173019574
N-methyl-1-[2-methyl-2-(2-methylphenyl)cyclopropyl]methanamine
CID 54775982
2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane
CID 162295435

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane?
The IUPAC name of 4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane (CID 162296775) is 4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane is Cc1ccccc1C12CC3CN(CN(C3)C1C)C2.
What is the InChIKey of 4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane?
The InChIKey is VNNKSQCDQLECAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12-5-3-4-6-15(12)16-7-14-8-17(10-16)11-18(9-14)13(16)2/h3-6,13-14H,7-11H2,1-2H3.
What are the key properties of 4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane?
4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane has a molecular weight of 242.37 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 162296775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).