12-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene

C19H18N2 — CID 10084741

IUPAC12-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene
SMILESCC1C2=c3c(cccc3=NC2)C2C3=CC=CCC3=CNC12
InChIInChI=1S/C19H18N2/c1-11-15-10-20-16-8-4-7-14(17(15)16)18-13-6-3-2-5-12(13)9-21-19(11)18/h2-4,6-9,11,18-19,21H,5,10H2,1H3
InChIKeyUUHCTWLOFMJROQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.95
Rot. Bonds

About 12-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene

12-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene (PubChem CID 10084741) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 12-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene.

Molecular Properties

Compound Name12-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene
PubChem CID10084741
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name12-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene
SMILESCC1C2=c3c(cccc3=NC2)C2C3=CC=CCC3=CNC12
InChIInChI=1S/C19H18N2/c1-11-15-10-20-16-8-4-7-14(17(15)16)18-13-6-3-2-5-12(13)9-21-19(11)18/h2-4,6-9,11,18-19,21H,5,10H2,1H3
InChIKeyUUHCTWLOFMJROQ-UHFFFAOYSA-N
XLogP1.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 12-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene with MolForge

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Related Compounds

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CID 67544643
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CID 67015309
3-(4-Fluorocyclohexa-1,3-dien-1-yl)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-7-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]-1,2,5,6-tetrahydroquinoxaline
CID 71168163
3-Aza-12-azoniapentacyclo[10.7.1.02,10.04,9.016,20]icosa-5,7,11,13,15,18-hexaene
CID 3063310
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CID 53778331
N-[2-(3,4,4a,7,8,8a-hexahydronaphthalen-2-yl)-2-[(2E)-2-[1-[4-[5-(4-methylcyclohept-3-en-1-yl)-3,4-dihydropyridin-3-yl]cyclohex-3-en-1-yl]ethylidene]cyclohex-3-en-1-yl]ethyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine
CID 67951720
4-cyclohexa-2,4-dien-1-yl-N-(3-cyclohexa-1,5-dien-1-ylpropyl)-2,5,6,7-tetrahydro-1H-quinolin-8-imine
CID 70955557
4-[3-(1,2-Dihydropyridin-4-yl)-5-(2,3-dihydropyridin-4-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydropyridine
CID 71044147
N-(1,4b,8,9,10,10a,10b,12a-octahydroisoquinolino[4,3-c]isoquinolin-12-ylmethyl)-N',N'-diethylpropane-1,3-diamine
CID 71171068
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CID 71192554
(7R)-5,11-dimethyl-8-(5-methylcyclohexa-1,5-dien-1-yl)-8-(5-methylcyclohexa-2,4-dien-1-yl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene
CID 71192690
N-[2-[6-(cyclohexen-1-yl)cyclohexen-1-yl]-2-[(6E)-6-[1-[4-[5-(4-methylcyclohepta-1,3-dien-1-yl)-2H-pyrrol-3-yl]cyclohexa-1,3-dien-1-yl]ethylidene]cyclohexa-2,4-dien-1-yl]ethyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-1-amine
CID 88530133

Frequently Asked Questions

What is the IUPAC name of 12-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene?
The IUPAC name of 12-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene (CID 10084741) is 12-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene.
What is the SMILES notation for 12-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene?
The canonical SMILES for 12-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene is CC1C2=c3c(cccc3=NC2)C2C3=CC=CCC3=CNC12.
What is the InChIKey of 12-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene?
The InChIKey is UUHCTWLOFMJROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-11-15-10-20-16-8-4-7-14(17(15)16)18-13-6-3-2-5-12(13)9-21-19(11)18/h2-4,6-9,11,18-19,21H,5,10H2,1H3.
What are the key properties of 12-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene?
12-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene has a molecular weight of 274.37 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(19),3,5,8,13(20),15,17-heptaene is sourced from PubChem (CID 10084741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).