8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene

C14H16N2 — CID 57273726

IUPAC8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
SMILESC1=CC2=C3CCC4=NC(CC3/C=N\C1)CC42
InChIInChI=1S/C14H16N2/c1-2-12-11-3-4-14-13(12)7-10(16-14)6-9(11)8-15-5-1/h1-2,8-10,13H,3-7H2/b2-1?,15-8-
InChIKeyKUENHWBXZMTSIN-FPLHAZIMSA-N
MW212.30 g/mol
LogP2.57
Rot. Bonds

About 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene

8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene (PubChem CID 57273726) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene.

Molecular Properties

Compound Name8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
PubChem CID57273726
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
SMILESC1=CC2=C3CCC4=NC(CC3/C=N\C1)CC42
InChIInChI=1S/C14H16N2/c1-2-12-11-3-4-14-13(12)7-10(16-14)6-9(11)8-15-5-1/h1-2,8-10,13H,3-7H2/b2-1?,15-8-
InChIKeyKUENHWBXZMTSIN-FPLHAZIMSA-N
XLogP2.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z)-15-methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 19879738
2-Cyclooctyl-2,5-dihydropyridine
CID 54424070
15-Methyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-3(14),4(11),5,8-tetraene
CID 54508433
4a,6a,10a,11-tetrahydro-4H-benzo[c][1]benzazepine
CID 57078566
3,4,6,6a,7,10b-Hexahydrobenzo[c][1,6]naphthyridine
CID 57100469
10,16-Dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
CID 57141995
6-Chloro-10,16-dimethyl-8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene
CID 57157118
3-Azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene
CID 91445412
N-(5-methyl-2-prop-1-enylcyclohex-2-en-1-yl)ethanimine
CID 123440293
(4aZ)-10-methyl-2,3,4,8,9,10-hexahydropyrido[3,2-d]azocine
CID 123653923
(4aZ)-10-methyl-2,3,4,8,9,10-hexahydrocycloocta[b]pyridine
CID 123782843
4-propyl-3a,7a-dihydro-3H-indole
CID 123854475

Frequently Asked Questions

What is the IUPAC name of 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene?
The IUPAC name of 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene (CID 57273726) is 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene.
What is the SMILES notation for 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene?
The canonical SMILES for 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene is C1=CC2=C3CCC4=NC(CC3/C=N\C1)CC42.
What is the InChIKey of 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene?
The InChIKey is KUENHWBXZMTSIN-FPLHAZIMSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-12-11-3-4-14-13(12)7-10(16-14)6-9(11)8-15-5-1/h1-2,8-10,13H,3-7H2/b2-1?,15-8-.
What are the key properties of 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene?
8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene has a molecular weight of 212.30 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,15-diazatetracyclo[8.5.1.03,14.04,11]hexadeca-4(11),5,8,14-tetraene is sourced from PubChem (CID 57273726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).