10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene

C19H28N2 — CID 57113705

IUPAC10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
SMILESCCC1C2N=C3CC4=C(CC3C2C)CC1(CC)/C=N\CC4
InChIInChI=1S/C19H28N2/c1-4-16-18-12(3)15-8-14-10-19(16,5-2)11-20-7-6-13(14)9-17(15)21-18/h11-12,15-16,18H,4-10H2,1-3H3/b20-11-
InChIKeyWIRURNGFERDGGF-JAIQZWGSSA-N
MW284.45 g/mol
LogP4.45
Rot. Bonds2

About 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene

10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene (PubChem CID 57113705) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene.

Molecular Properties

Compound Name10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
PubChem CID57113705
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
SMILESCCC1C2N=C3CC4=C(CC3C2C)CC1(CC)/C=N\CC4
InChIInChI=1S/C19H28N2/c1-4-16-18-12(3)15-8-14-10-19(16,5-2)11-20-7-6-13(14)9-17(15)21-18/h11-12,15-16,18H,4-10H2,1-3H3/b20-11-
InChIKeyWIRURNGFERDGGF-JAIQZWGSSA-N
XLogP4.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.45
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

15-Methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
CID 57021968
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-Dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
CID 57141995
6-Chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
CID 57157118
10,15,16-Trimethyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene
CID 57255343
10,16-Dimethyl-7,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,7,14-tetraene
CID 57322914

Frequently Asked Questions

What is the IUPAC name of 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene?
The IUPAC name of 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene (CID 57113705) is 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene.
What is the SMILES notation for 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene?
The canonical SMILES for 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene is CCC1C2N=C3CC4=C(CC3C2C)CC1(CC)/C=N\CC4.
What is the InChIKey of 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene?
The InChIKey is WIRURNGFERDGGF-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H28N2/c1-4-16-18-12(3)15-8-14-10-19(16,5-2)11-20-7-6-13(14)9-17(15)21-18/h11-12,15-16,18H,4-10H2,1-3H3/b20-11-.
What are the key properties of 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene?
10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene has a molecular weight of 284.45 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,16-diethyl-15-methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),8-triene is sourced from PubChem (CID 57113705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).