3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane

C19H22N2 — CID 142452538

IUPAC3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane
SMILESCC.CN1C2=C1c1ccccc1N(C)Cc1ccccc12
InChIInChI=1S/C17H16N2.C2H6/c1-18-11-12-7-3-4-8-13(12)16-17(19(16)2)14-9-5-6-10-15(14)18;1-2/h3-10H,11H2,1-2H3;1-2H3
InChIKeyYCRADKXLNXPFNJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.43
Rot. Bonds

About 3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane

3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane (PubChem CID 142452538) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane.

Molecular Properties

Compound Name3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane
PubChem CID142452538
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane
SMILESCC.CN1C2=C1c1ccccc1N(C)Cc1ccccc12
InChIInChI=1S/C17H16N2.C2H6/c1-18-11-12-7-3-4-8-13(12)16-17(19(16)2)14-9-5-6-10-15(14)18;1-2/h3-10H,11H2,1-2H3;1-2H3
InChIKeyYCRADKXLNXPFNJ-UHFFFAOYSA-N
XLogP4.43
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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CID 176713426
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CID 21303886
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CID 153397893
(3Z)-N,N-dimethyl-3-(5-methyl-6H-benzo[c][1]benzazepin-11-ylidene)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane?
The IUPAC name of 3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane (CID 142452538) is 3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane.
What is the SMILES notation for 3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane?
The canonical SMILES for 3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane is CC.CN1C2=C1c1ccccc1N(C)Cc1ccccc12.
What is the InChIKey of 3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane?
The InChIKey is YCRADKXLNXPFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2.C2H6/c1-18-11-12-7-3-4-8-13(12)16-17(19(16)2)14-9-5-6-10-15(14)18;1-2/h3-10H,11H2,1-2H3;1-2H3.
What are the key properties of 3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane?
3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane has a molecular weight of 278.40 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane is sourced from PubChem (CID 142452538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).