(1S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene

C17H23N3 — CID 67459074

IUPAC(1S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene
SMILESCn1cnc2cc3c(cc21)CC1NCC[C@]3(C)C1(C)C
InChIInChI=1S/C17H23N3/c1-16(2)15-8-11-7-14-13(19-10-20(14)4)9-12(11)17(16,3)5-6-18-15/h7,9-10,15,18H,5-6,8H2,1-4H3/t15?,17-/m0/s1
InChIKeyQDXIAPPZXGGVGN-LWKPJOBUSA-N
MW269.39 g/mol
LogP2.78
Rot. Bonds

About (1S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene

(1S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene (PubChem CID 67459074) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is (1S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene.

Molecular Properties

Compound Name(1S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene
PubChem CID67459074
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name(1S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene
SMILESCn1cnc2cc3c(cc21)CC1NCC[C@]3(C)C1(C)C
InChIInChI=1S/C17H23N3/c1-16(2)15-8-11-7-14-13(19-10-20(14)4)9-12(11)17(16,3)5-6-18-15/h7,9-10,15,18H,5-6,8H2,1-4H3/t15?,17-/m0/s1
InChIKeyQDXIAPPZXGGVGN-LWKPJOBUSA-N
XLogP2.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene?
The IUPAC name of (1S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene (CID 67459074) is (1S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene.
What is the SMILES notation for (1S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene?
The canonical SMILES for (1S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene is Cn1cnc2cc3c(cc21)CC1NCC[C@]3(C)C1(C)C.
What is the InChIKey of (1S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene?
The InChIKey is QDXIAPPZXGGVGN-LWKPJOBUSA-N. The full InChI is InChI=1S/C17H23N3/c1-16(2)15-8-11-7-14-13(19-10-20(14)4)9-12(11)17(16,3)5-6-18-15/h7,9-10,15,18H,5-6,8H2,1-4H3/t15?,17-/m0/s1.
What are the key properties of (1S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene?
(1S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene has a molecular weight of 269.39 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,7,16,16-tetramethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene is sourced from PubChem (CID 67459074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).