8,11-dimethyl-2-aza-8-azoniapentacyclo[8.7.1.12,5.014,18.09,19]nonadeca-1(17),3,5(19),6,8,10,12,14(18),15-nonaene

C19H15N2+ — CID 166030155

IUPAC8,11-dimethyl-2-aza-8-azoniapentacyclo[8.7.1.12,5.014,18.09,19]nonadeca-1(17),3,5(19),6,8,10,12,14(18),15-nonaene
SMILESCc1ccc2cccc3c2c1c1c2c(ccn32)cc[n+]1C
InChIInChI=1S/C19H15N2/c1-12-6-7-13-4-3-5-15-17(13)16(12)19-18-14(8-10-20(19)2)9-11-21(15)18/h3-11H,1-2H3/q+1
InChIKeyJFZOTQOIOMAHBM-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.97
Rot. Bonds

About 8,11-dimethyl-2-aza-8-azoniapentacyclo[8.7.1.12,5.014,18.09,19]nonadeca-1(17),3,5(19),6,8,10,12,14(18),15-nonaene

8,11-dimethyl-2-aza-8-azoniapentacyclo[8.7.1.12,5.014,18.09,19]nonadeca-1(17),3,5(19),6,8,10,12,14(18),15-nonaene (PubChem CID 166030155) has the molecular formula C19H15N2+ and a molecular weight of 271.34 g/mol. Its IUPAC name is 8,11-dimethyl-2-aza-8-azoniapentacyclo[8.7.1.12,5.014,18.09,19]nonadeca-1(17),3,5(19),6,8,10,12,14(18),15-nonaene.

Molecular Properties

Compound Name8,11-dimethyl-2-aza-8-azoniapentacyclo[8.7.1.12,5.014,18.09,19]nonadeca-1(17),3,5(19),6,8,10,12,14(18),15-nonaene
PubChem CID166030155
Molecular FormulaC19H15N2+
Molecular Weight271.34 g/mol
Exact Mass271.12
IUPAC Name8,11-dimethyl-2-aza-8-azoniapentacyclo[8.7.1.12,5.014,18.09,19]nonadeca-1(17),3,5(19),6,8,10,12,14(18),15-nonaene
SMILESCc1ccc2cccc3c2c1c1c2c(ccn32)cc[n+]1C
InChIInChI=1S/C19H15N2/c1-12-6-7-13-4-3-5-15-17(13)16(12)19-18-14(8-10-20(19)2)9-11-21(15)18/h3-11H,1-2H3/q+1
InChIKeyJFZOTQOIOMAHBM-UHFFFAOYSA-N
XLogP3.97
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 8,11-dimethyl-2-aza-8-azoniapentacyclo[8.7.1.12,5.014,18.09,19]nonadeca-1(17),3,5(19),6,8,10,12,14(18),15-nonaene with MolForge

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Related Compounds

3-fluoro-11,14-dimethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene
CID 170684261
11,14-dimethyl-3-(2-methylpropyl)-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
CID 170685105
3,17-dimethyl-5,8-diaza-3-azoniapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,9,11(19),12,14(18),15-nonaene
CID 170235939
6,11,14-trimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
CID 170685466
3-(2-isocyanopropan-2-yl)-11,14-dimethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene
CID 170684967
9,11,14-trimethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
CID 170684570
5-cyclopentyl-11,14-dimethyl-1-aza-11-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene
CID 170685404
9,12-dimethyl-18-oxa-4-aza-9-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene
CID 170235916
6,9-dimethyl-1-aza-6-azoniahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2(7),3,5,8,10,12(23),13,15(22),16,18,20-undecaene
CID 170235742
N,N,11,14-tetramethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaen-3-amine
CID 170685354
20-methoxy-11,14-dimethyl-1-aza-14-azoniahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene
CID 170685372
1,12-dimethylbenzimidazolo[2,1-a]isoquinolin-12-ium
CID 177102437

Frequently Asked Questions

What is the IUPAC name of 8,11-dimethyl-2-aza-8-azoniapentacyclo[8.7.1.12,5.014,18.09,19]nonadeca-1(17),3,5(19),6,8,10,12,14(18),15-nonaene?
The IUPAC name of 8,11-dimethyl-2-aza-8-azoniapentacyclo[8.7.1.12,5.014,18.09,19]nonadeca-1(17),3,5(19),6,8,10,12,14(18),15-nonaene (CID 166030155) is 8,11-dimethyl-2-aza-8-azoniapentacyclo[8.7.1.12,5.014,18.09,19]nonadeca-1(17),3,5(19),6,8,10,12,14(18),15-nonaene.
What is the SMILES notation for 8,11-dimethyl-2-aza-8-azoniapentacyclo[8.7.1.12,5.014,18.09,19]nonadeca-1(17),3,5(19),6,8,10,12,14(18),15-nonaene?
The canonical SMILES for 8,11-dimethyl-2-aza-8-azoniapentacyclo[8.7.1.12,5.014,18.09,19]nonadeca-1(17),3,5(19),6,8,10,12,14(18),15-nonaene is Cc1ccc2cccc3c2c1c1c2c(ccn32)cc[n+]1C.
What is the InChIKey of 8,11-dimethyl-2-aza-8-azoniapentacyclo[8.7.1.12,5.014,18.09,19]nonadeca-1(17),3,5(19),6,8,10,12,14(18),15-nonaene?
The InChIKey is JFZOTQOIOMAHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N2/c1-12-6-7-13-4-3-5-15-17(13)16(12)19-18-14(8-10-20(19)2)9-11-21(15)18/h3-11H,1-2H3/q+1.
What are the key properties of 8,11-dimethyl-2-aza-8-azoniapentacyclo[8.7.1.12,5.014,18.09,19]nonadeca-1(17),3,5(19),6,8,10,12,14(18),15-nonaene?
8,11-dimethyl-2-aza-8-azoniapentacyclo[8.7.1.12,5.014,18.09,19]nonadeca-1(17),3,5(19),6,8,10,12,14(18),15-nonaene has a molecular weight of 271.34 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dimethyl-2-aza-8-azoniapentacyclo[8.7.1.12,5.014,18.09,19]nonadeca-1(17),3,5(19),6,8,10,12,14(18),15-nonaene is sourced from PubChem (CID 166030155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).