1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene

C17H20N2 — CID 2951086

IUPAC1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
SMILESCC12CCC(C)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C17H20N2/c1-15(2)16(3)9-10-17(15,4)14-13(16)18-11-7-5-6-8-12(11)19-14/h5-8H,9-10H2,1-4H3
InChIKeyZBVXZRXFIISPRV-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.98
Rot. Bonds

About 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene

1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene (PubChem CID 2951086) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene.

Molecular Properties

Compound Name1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
PubChem CID2951086
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
SMILESCC12CCC(C)(c3nc4ccccc4nc31)C2(C)C
InChIInChI=1S/C17H20N2/c1-15(2)16(3)9-10-17(15,4)14-13(16)18-11-7-5-6-8-12(11)19-14/h5-8H,9-10H2,1-4H3
InChIKeyZBVXZRXFIISPRV-UHFFFAOYSA-N
XLogP3.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene with MolForge

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Related Compounds

2-Methyl-11H-indeno[1,2-b]quinoxaline
CID 616082
11H-Indeno(1,2-b)quinoxaline
CID 255774
Acenaphtho[1,2-b]quinoxaline
CID 136028
9-Methylacenaphtho(1,2-B)-quinoxaline
CID 294570
(1R,4S)-N,N,4,11,11-pentamethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamide
CID 664404
4,11,11-Trimethyl-1,2,3,4-tetrahydro-1,4-methanophenazine-1-carboxamide
CID 2947641
Sodium;N-oxidoindeno[1,2-b]quinoxalin-11-imine
CID 72193876
N-(tert-butyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.0~2,11~.0~4,9~]pentadeca-2(11),3,5,7,9-pentaene-1-carboxamide
CID 2960184
12,15,15-Trimethyl-3lambda~5~,10-diazatetracyclo[10.2.1.0~2,11~.0~4,9~]pentadeca-2,4,6,8,10-pentaen-3-ol
CID 5064165
1,15,15-Trimethyl-10-(4-methylpiperazin-1-yl)-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
CID 2729700
1,15,15-Trimethyl-3-azatetracyclo[10.2.1.0^{2,11}.0^{4,9}]pentadeca-2(11),3,5,7,9-pentaen-10-amine
CID 44344490
(E)-N-methoxyindeno[1,2-b]quinoxalin-11-imine
CID 155542902

Frequently Asked Questions

What is the IUPAC name of 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The IUPAC name of 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene (CID 2951086) is 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene.
What is the SMILES notation for 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The canonical SMILES for 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene is CC12CCC(C)(c3nc4ccccc4nc31)C2(C)C.
What is the InChIKey of 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The InChIKey is ZBVXZRXFIISPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-15(2)16(3)9-10-17(15,4)14-13(16)18-11-7-5-6-8-12(11)19-14/h5-8H,9-10H2,1-4H3.
What are the key properties of 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene has a molecular weight of 252.36 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12,15,15-tetramethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene is sourced from PubChem (CID 2951086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).