13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene

C18H15N — CID 4558435

IUPAC13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
SMILESCc1cc2c(c(C)n1)Cc1ccc3ccccc3c1-2
InChIInChI=1S/C18H15N/c1-11-9-17-16(12(2)19-11)10-14-8-7-13-5-3-4-6-15(13)18(14)17/h3-9H,10H2,1-2H3
InChIKeyBJBXGNJUUOBXHI-UHFFFAOYSA-N
MW245.32 g/mol
LogP4.42
Rot. Bonds

About 13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene

13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene (PubChem CID 4558435) has the molecular formula C18H15N and a molecular weight of 245.32 g/mol. Its IUPAC name is 13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene.

Molecular Properties

Compound Name13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
PubChem CID4558435
Molecular FormulaC18H15N
Molecular Weight245.32 g/mol
Exact Mass245.12
IUPAC Name13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
SMILESCc1cc2c(c(C)n1)Cc1ccc3ccccc3c1-2
InChIInChI=1S/C18H15N/c1-11-9-17-16(12(2)19-11)10-14-8-7-13-5-3-4-6-15(13)18(14)17/h3-9H,10H2,1-2H3
InChIKeyBJBXGNJUUOBXHI-UHFFFAOYSA-N
XLogP4.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8,9-dimethyl-7H-benzo[c]fluorene
CID 159520619
undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene
CID 159117646
7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 158908888
14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene
CID 123585590
bis(7,8,9-trimethyl-11H-benzo[a]fluorene);1,2,3-trimethyl-11H-benzo[b]fluorene;2,3,4-trimethyl-11H-benzo[b]fluorene;8,9,10-trimethyl-7H-benzo[c]fluorene;9,10,11-trimethyl-7H-benzo[c]fluorene
CID 163500234
7-methylpentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 160819244
13-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.019,24]octacosa-1(17),2(14),3,5,7,9,11,15,18(27),19,21,23,25-tridecaene
CID 158729124
15-methyl-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-1,3(12),4,6,8,10,14,16,18,20,22,24,26,28-tetradecaene
CID 126501058
undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
CID 158563548
8,9-dimethyl-11H-benzo[a]fluorene;2,3-dimethyl-11H-benzo[b]fluorene;9,10-dimethyl-7H-benzo[c]fluorene;8,9-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]fluorene;ethane
CID 159294979
22-ethyl-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
CID 122464018
21-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 154629324

Frequently Asked Questions

What is the IUPAC name of 13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The IUPAC name of 13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene (CID 4558435) is 13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene.
What is the SMILES notation for 13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The canonical SMILES for 13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene is Cc1cc2c(c(C)n1)Cc1ccc3ccccc3c1-2.
What is the InChIKey of 13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
The InChIKey is BJBXGNJUUOBXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N/c1-11-9-17-16(12(2)19-11)10-14-8-7-13-5-3-4-6-15(13)18(14)17/h3-9H,10H2,1-2H3.
What are the key properties of 13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene?
13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene has a molecular weight of 245.32 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 13,15-dimethyl-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene is sourced from PubChem (CID 4558435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).