8,15-dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene

C24H36N2 — CID 166657482

IUPAC8,15-dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene
SMILESCC(C)CCN1C2=C3C(=CCC2)C(C)C2=CC=CC(C(C)C)C2N3C1C
InChIInChI=1S/C24H36N2/c1-15(2)13-14-25-18(6)26-23-19(16(3)4)9-7-10-20(23)17(5)21-11-8-12-22(25)24(21)26/h7,9-11,15-19,23H,8,12-14H2,1-6H3
InChIKeyIUVFNERDQJGJTJ-UHFFFAOYSA-N
MW352.57 g/mol
LogP5.71
Rot. Bonds4

About 8,15-dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene

8,15-dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene (PubChem CID 166657482) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is 8,15-dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene.

Molecular Properties

Compound Name8,15-dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene
PubChem CID166657482
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC Name8,15-dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene
SMILESCC(C)CCN1C2=C3C(=CCC2)C(C)C2=CC=CC(C(C)C)C2N3C1C
InChIInChI=1S/C24H36N2/c1-15(2)13-14-25-18(6)26-23-19(16(3)4)9-7-10-20(23)17(5)21-11-8-12-22(25)24(21)26/h7,9-11,15-19,23H,8,12-14H2,1-6H3
InChIKeyIUVFNERDQJGJTJ-UHFFFAOYSA-N
XLogP5.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,15-dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,15-dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene?
The IUPAC name of 8,15-dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene (CID 166657482) is 8,15-dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene.
What is the SMILES notation for 8,15-dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene?
The canonical SMILES for 8,15-dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene is CC(C)CCN1C2=C3C(=CCC2)C(C)C2=CC=CC(C(C)C)C2N3C1C.
What is the InChIKey of 8,15-dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene?
The InChIKey is IUVFNERDQJGJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2/c1-15(2)13-14-25-18(6)26-23-19(16(3)4)9-7-10-20(23)17(5)21-11-8-12-22(25)24(21)26/h7,9-11,15-19,23H,8,12-14H2,1-6H3.
What are the key properties of 8,15-dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene?
8,15-dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene has a molecular weight of 352.57 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,15-dimethyl-14-(3-methylbutyl)-3-propan-2-yl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-4,6,9,13(16)-tetraene is sourced from PubChem (CID 166657482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).