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

C19H30N2 — CID 57117877

IUPAC8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene
SMILESCCC1CCC2=C3CC4C(=NC(C4C)C(C)C(C)(C3)N1)C2
InChIInChI=1S/C19H30N2/c1-5-15-7-6-13-9-17-16-8-14(13)10-19(4,21-15)12(3)18(20-17)11(16)2/h11-12,15-16,18,21H,5-10H2,1-4H3
InChIKeyVUPDCBNYQKVLJA-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.11
Rot. Bonds1

About 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene

8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene (PubChem CID 57117877) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene.

Molecular Properties

Compound Name8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene
PubChem CID57117877
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene
SMILESCCC1CCC2=C3CC4C(=NC(C4C)C(C)C(C)(C3)N1)C2
InChIInChI=1S/C19H30N2/c1-5-15-7-6-13-9-17-16-8-14(13)10-19(4,21-15)12(3)18(20-17)11(16)2/h11-12,15-16,18,21H,5-10H2,1-4H3
InChIKeyVUPDCBNYQKVLJA-UHFFFAOYSA-N
XLogP4.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.11
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
10,15,16-Trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene
CID 57065860
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 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene?
The IUPAC name of 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene (CID 57117877) is 8-ethyl-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 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene?
The canonical SMILES for 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene is CCC1CCC2=C3CC4C(=NC(C4C)C(C)C(C)(C3)N1)C2.
What is the InChIKey of 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene?
The InChIKey is VUPDCBNYQKVLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-5-15-7-6-13-9-17-16-8-14(13)10-19(4,21-15)12(3)18(20-17)11(16)2/h11-12,15-16,18,21H,5-10H2,1-4H3.
What are the key properties of 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene?
8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene has a molecular weight of 286.46 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-10,15,16-trimethyl-2,9-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-2,5(12)-diene is sourced from PubChem (CID 57117877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).