16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene

C19H26N2 — CID 163002483

IUPAC16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene
SMILESCCC1CCN2CCc3c([nH]c4ccccc34)CCC1C2
InChIInChI=1S/C19H26N2/c1-2-14-9-11-21-12-10-17-16-5-3-4-6-18(16)20-19(17)8-7-15(14)13-21/h3-6,14-15,20H,2,7-13H2,1H3
InChIKeyNILVXHVRQIFNHC-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.00
Rot. Bonds1

About 16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene

16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene (PubChem CID 163002483) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene.

Molecular Properties

Compound Name16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene
PubChem CID163002483
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene
SMILESCCC1CCN2CCc3c([nH]c4ccccc34)CCC1C2
InChIInChI=1S/C19H26N2/c1-2-14-9-11-21-12-10-17-16-5-3-4-6-18(16)20-19(17)8-7-15(14)13-21/h3-6,14-15,20H,2,7-13H2,1H3
InChIKeyNILVXHVRQIFNHC-UHFFFAOYSA-N
XLogP4.00
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(15S,17R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-17-ol
CID 102399433
3-methyl-5-phenyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole
CID 11695189
3-propyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335334
N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 69179589
3-methyl-4-propyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 177206921
N-benzyl-N-ethyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203560
11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),15,17,19-tetraene-11-carbonitrile;ethane;methane;(2-methylphenyl)methanol
CID 145393596
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
CID 118402613
2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 89161688
3-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 10511740
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285

Frequently Asked Questions

What is the IUPAC name of 16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene?
The IUPAC name of 16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene (CID 163002483) is 16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene.
What is the SMILES notation for 16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene?
The canonical SMILES for 16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene is CCC1CCN2CCc3c([nH]c4ccccc34)CCC1C2.
What is the InChIKey of 16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene?
The InChIKey is NILVXHVRQIFNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-2-14-9-11-21-12-10-17-16-5-3-4-6-18(16)20-19(17)8-7-15(14)13-21/h3-6,14-15,20H,2,7-13H2,1H3.
What are the key properties of 16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene?
16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene has a molecular weight of 282.43 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene is sourced from PubChem (CID 163002483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).