15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene

C15H20N2 — CID 57021968

IUPAC15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
SMILESCC1C2CC3/C=N\CCC4=C(C3)CC1C(=N2)C4
InChIInChI=1S/C15H20N2/c1-9-13-6-12-4-10-5-14(9)17-15(13)7-11(12)2-3-16-8-10/h8-10,13-14H,2-7H2,1H3/b16-8-
InChIKeySNDBCFTVCJCNKS-PXNMLYILSA-N
MW228.34 g/mol
LogP3.04
Rot. Bonds

About 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene

15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene (PubChem CID 57021968) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene.

Molecular Properties

Compound Name15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
PubChem CID57021968
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
SMILESCC1C2CC3/C=N\CCC4=C(C3)CC1C(=N2)C4
InChIInChI=1S/C15H20N2/c1-9-13-6-12-4-10-5-14(9)17-15(13)7-11(12)2-3-16-8-10/h8-10,13-14H,2-7H2,1H3/b16-8-
InChIKeySNDBCFTVCJCNKS-PXNMLYILSA-N
XLogP3.04
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10,16-Dimethyl-15-(3-methylbut-2-enyl)-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
CID 57053520
10,16-Diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
CID 57113705
10,15,16-Trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
CID 57255343
2,3,4-Trimethyl-7-propan-2-yl-4,4a,7,8-tetrahydro-1,6-naphthyridine
CID 167263548

Frequently Asked Questions

What is the IUPAC name of 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene?
The IUPAC name of 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene (CID 57021968) is 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene.
What is the SMILES notation for 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene?
The canonical SMILES for 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene is CC1C2CC3/C=N\CCC4=C(C3)CC1C(=N2)C4.
What is the InChIKey of 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene?
The InChIKey is SNDBCFTVCJCNKS-PXNMLYILSA-N. The full InChI is InChI=1S/C15H20N2/c1-9-13-6-12-4-10-5-14(9)17-15(13)7-11(12)2-3-16-8-10/h8-10,13-14H,2-7H2,1H3/b16-8-.
What are the key properties of 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene?
15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene has a molecular weight of 228.34 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene is sourced from PubChem (CID 57021968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).