10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene

C17H26N2 — CID 57065860

IUPAC10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene
SMILESCC1C2CC3=C4CCCNC(C)(C3)C(C)C1N=C2C4
InChIInChI=1S/C17H26N2/c1-10-14-7-13-9-17(3)11(2)16(10)19-15(14)8-12(13)5-4-6-18-17/h10-11,14,16,18H,4-9H2,1-3H3
InChIKeyZAJJOVZVJGTZOA-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.33
Rot. Bonds

About 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene

10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene (PubChem CID 57065860) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene.

Molecular Properties

Compound Name10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene
PubChem CID57065860
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene
SMILESCC1C2CC3=C4CCCNC(C)(C3)C(C)C1N=C2C4
InChIInChI=1S/C17H26N2/c1-10-14-7-13-9-17(3)11(2)16(10)19-15(14)8-12(13)5-4-6-18-17/h10-11,14,16,18H,4-9H2,1-3H3
InChIKeyZAJJOVZVJGTZOA-UHFFFAOYSA-N
XLogP3.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10,16-Diethyl-15-methyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
CID 57034308
8-Ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene
CID 57117877
15-(Cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene
CID 57157439
10,15,16-Trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
CID 57224346
15-(Cyclopropylmethyl)-10,16-dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
CID 57257918
10,16-Dimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
CID 57293262
10,16-Dimethyl-15-(3-methylbut-2-enyl)-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12),6-triene
CID 57312867
7-methyl-1-pentan-2-yl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine
CID 155374140
N-[1-[(6R)-1-ethyl-6-methyl-3,4,5,6,7,8-hexahydroisoquinolin-4-yl]ethyl]-3-(methylideneamino)propan-1-amine
CID 173866758

Frequently Asked Questions

What is the IUPAC name of 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene?
The IUPAC name of 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene (CID 57065860) is 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene.
What is the SMILES notation for 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene?
The canonical SMILES for 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene is CC1C2CC3=C4CCCNC(C)(C3)C(C)C1N=C2C4.
What is the InChIKey of 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene?
The InChIKey is ZAJJOVZVJGTZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-10-14-7-13-9-17(3)11(2)16(10)19-15(14)8-12(13)5-4-6-18-17/h10-11,14,16,18H,4-9H2,1-3H3.
What are the key properties of 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene?
10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene has a molecular weight of 258.41 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene is sourced from PubChem (CID 57065860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).