2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

C17H17N — CID 142252199

IUPAC2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCC1=Cc2cc(C)ccc2C(C)c2ncccc21
InChIInChI=1S/C17H17N/c1-11-6-7-16-13(3)17-15(5-4-8-18-17)12(2)10-14(16)9-11/h4-10,13H,1-3H3
InChIKeyPDCRJBBQEZMSQV-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.42
Rot. Bonds

About 2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (PubChem CID 142252199) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.

Molecular Properties

Compound Name2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
PubChem CID142252199
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCC1=Cc2cc(C)ccc2C(C)c2ncccc21
InChIInChI=1S/C17H17N/c1-11-6-7-16-13(3)17-15(5-4-8-18-17)12(2)10-14(16)9-11/h4-10,13H,1-3H3
InChIKeyPDCRJBBQEZMSQV-UHFFFAOYSA-N
XLogP4.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene with MolForge

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Related Compounds

(Z)-but-2-ene;9-butyl-13-methyl-2-piperidin-4-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene;ethane;prop-1-ene
CID 142119296
3-[13-methyl-2-(1-methylsulfanylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-9-yl]propylidenephosphane
CID 142119640
2,6,9,10-tetramethyl-9,10-dihydroanthracene
CID 140827349
5,6-dimethyl-5H-cyclopenta[b]pyridine
CID 12646115
2-(7,9-dimethyl-9H-fluoren-2-yl)pyridine
CID 168745074
lithium;1,5-dimethyl-1H-indene;hydride
CID 175183172
8-[2-(3-methylphenyl)phenyl]quinoline
CID 134445651
N-(5,10-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)formamide
CID 54261147
1,5-dimethyl-2-(4-methylheptan-3-yl)-1H-indene
CID 142132562
10-butyl-13-methyl-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 142177333
N-[(4-methylphenyl)methyl]-2-[6-(3-methylphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
CID 71839482
1-(2-chloro-5-methyl-1H-inden-1-yl)ethanol
CID 143919585

Frequently Asked Questions

What is the IUPAC name of 2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The IUPAC name of 2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (CID 142252199) is 2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.
What is the SMILES notation for 2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The canonical SMILES for 2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is CC1=Cc2cc(C)ccc2C(C)c2ncccc21.
What is the InChIKey of 2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The InChIKey is PDCRJBBQEZMSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-11-6-7-16-13(3)17-15(5-4-8-18-17)12(2)10-14(16)9-11/h4-10,13H,1-3H3.
What are the key properties of 2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene has a molecular weight of 235.33 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,13-trimethyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is sourced from PubChem (CID 142252199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).