(1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene

C17H25N3 — CID 22828633

IUPAC(1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
SMILESCC1=CN2C3=C(CCC=C3)C[C@H]2[C@@H]2C1N(C)CCN2C
InChIInChI=1S/C17H25N3/c1-12-11-20-14-7-5-4-6-13(14)10-15(20)17-16(12)18(2)8-9-19(17)3/h5,7,11,15-17H,4,6,8-10H2,1-3H3/t15-,16?,17+/m0/s1
InChIKeyLHCMGWRTSFDLPQ-RPCGPGEBSA-N
MW271.41 g/mol
LogP2.20
Rot. Bonds

About (1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene

(1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene (PubChem CID 22828633) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is (1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene.

Molecular Properties

Compound Name(1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
PubChem CID22828633
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name(1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
SMILESCC1=CN2C3=C(CCC=C3)C[C@H]2[C@@H]2C1N(C)CCN2C
InChIInChI=1S/C17H25N3/c1-12-11-20-14-7-5-4-6-13(14)10-15(20)17-16(12)18(2)8-9-19(17)3/h5,7,11,15-17H,4,6,8-10H2,1-3H3/t15-,16?,17+/m0/s1
InChIKeyLHCMGWRTSFDLPQ-RPCGPGEBSA-N
XLogP2.20
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene?
The IUPAC name of (1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene (CID 22828633) is (1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene.
What is the SMILES notation for (1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene?
The canonical SMILES for (1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene is CC1=CN2C3=C(CCC=C3)C[C@H]2[C@@H]2C1N(C)CCN2C.
What is the InChIKey of (1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene?
The InChIKey is LHCMGWRTSFDLPQ-RPCGPGEBSA-N. The full InChI is InChI=1S/C17H25N3/c1-12-11-20-14-7-5-4-6-13(14)10-15(20)17-16(12)18(2)8-9-19(17)3/h5,7,11,15-17H,4,6,8-10H2,1-3H3/t15-,16?,17+/m0/s1.
What are the key properties of (1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene?
(1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene has a molecular weight of 271.41 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-3,6,8-trimethyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene is sourced from PubChem (CID 22828633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).