9-methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene

C15H15N2+ — CID 10663489

IUPAC9-methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
SMILESC[N+]1=CC2C=CC=C3N=CC4=CC=CC1C4C32
InChIInChI=1S/C15H15N2/c1-17-9-11-5-2-6-12-14(11)15-10(8-16-12)4-3-7-13(15)17/h2-9,11,13-15H,1H3/q+1
InChIKeyCOESYEPANFPQGV-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.96
Rot. Bonds

About 9-methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene

9-methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene (PubChem CID 10663489) has the molecular formula C15H15N2+ and a molecular weight of 223.30 g/mol. Its IUPAC name is 9-methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene.

Molecular Properties

Compound Name9-methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
PubChem CID10663489
Molecular FormulaC15H15N2+
Molecular Weight223.30 g/mol
Exact Mass223.12
IUPAC Name9-methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
SMILESC[N+]1=CC2C=CC=C3N=CC4=CC=CC1C4C32
InChIInChI=1S/C15H15N2/c1-17-9-11-5-2-6-12-14(11)15-10(8-16-12)4-3-7-13(15)17/h2-9,11,13-15H,1H3/q+1
InChIKeyCOESYEPANFPQGV-UHFFFAOYSA-N
XLogP1.96
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 57305163
N-[4-(8a-methyl-8H-quinolin-6-yl)-3-methylbutan-2-yl]-N-methylhexa-1,5-dien-2-amine
CID 134287846
3,8-Dimethyl-5a,6,9,9a-tetrahydropyrido[3,4-g]isoquinoline;ethane
CID 144089809
4,5,8-trimethyl-4,4a-dihydro-3H-benzo[c][1,5]naphthyridine
CID 167104345
(E)-N-[[(8aR)-4a,8a-dihydronaphthalen-1-yl]methyl]-N-[[(4S,7aS)-4-methyl-1a,3,4,7a-tetrahydro-1H-cyclopropa[b]naphthalen-7-yl]methyl]-4-methyliminobut-2-en-2-amine
CID 169846207
2,9-Dimethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
CID 10526717
6,13-Dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
CID 10609862
2,6,9,13-Tetramethyl-2,9-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
CID 10647654
Hydrogen sulfate;9-methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene
CID 10663488
3,8-Dimethyl-5a,6,9,9a-tetrahydropyrido[3,4-g]isoquinoline
CID 144089810

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene?
The IUPAC name of 9-methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene (CID 10663489) is 9-methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene.
What is the SMILES notation for 9-methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene?
The canonical SMILES for 9-methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene is C[N+]1=CC2C=CC=C3N=CC4=CC=CC1C4C32.
What is the InChIKey of 9-methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene?
The InChIKey is COESYEPANFPQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2/c1-17-9-11-5-2-6-12-14(11)15-10(8-16-12)4-3-7-13(15)17/h2-9,11,13-15H,1H3/q+1.
What are the key properties of 9-methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene?
9-methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene has a molecular weight of 223.30 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-aza-9-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,9,12-hexaene is sourced from PubChem (CID 10663489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).