6,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene

C14H16N2 — CID 56994580

IUPAC6,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene
SMILESC1=CCC2C(=C1)C1CC3=NCC=CC3C2N1
InChIInChI=1S/C14H16N2/c1-2-5-10-9(4-1)13-8-12-11(14(10)16-13)6-3-7-15-12/h1-4,6,10-11,13-14,16H,5,7-8H2
InChIKeyPWCCTICINKVDSQ-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.86
Rot. Bonds

About 6,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene

6,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene (PubChem CID 56994580) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 6,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene.

Molecular Properties

Compound Name6,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene
PubChem CID56994580
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name6,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene
SMILESC1=CCC2C(=C1)C1CC3=NCC=CC3C2N1
InChIInChI=1S/C14H16N2/c1-2-5-10-9(4-1)13-8-12-11(14(10)16-13)6-3-7-15-12/h1-4,6,10-11,13-14,16H,5,7-8H2
InChIKeyPWCCTICINKVDSQ-UHFFFAOYSA-N
XLogP1.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.86
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

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CID 123527109
3a,5,6,7,8,8a,9,9a-octahydro-3H-pyrrolo[2,3-g]isoquinoline
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3-piperidin-4-yl-5,6-dihydro-1H-isoindole
CID 58690582
1,2,3,3a,4,5,5a,5b-Octahydropyrrolo[3,2-a]carbazole
CID 70290535
2-pyrrolidin-2-yl-3a,7a-dihydro-3H-indole
CID 90710165
8-(3-Bicyclo[3.2.1]octa-1,6-dienyl)-5-(5-cyclobutyl-3-methyl-2-propylhex-4-enyl)-3-ethenyl-2-ethyl-7-methyl-4-pentan-3-yl-2,3,5,6,7,8-hexahydro-1,6-naphthyridine
CID 91223107
6,8-dimethyl-2,3,4,5a,6,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 91352720
2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 123325971
2-[(2S)-pyrrolidin-2-yl]-3a,7a-dihydro-3H-indole
CID 123606898
1-(2,3,3a,4,5,6,7,9b-octahydro-1H-benzo[e]indol-9-yl)ethanimine
CID 123691188
11-(Cyclopropylmethyl)-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8-triene
CID 163454198
1,2,3,4,4a,5,6,6a-Octahydro-2,7-phenanthroline
CID 172126519

Frequently Asked Questions

What is the IUPAC name of 6,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene?
The IUPAC name of 6,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene (CID 56994580) is 6,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene.
What is the SMILES notation for 6,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene?
The canonical SMILES for 6,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene is C1=CCC2C(=C1)C1CC3=NCC=CC3C2N1.
What is the InChIKey of 6,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene?
The InChIKey is PWCCTICINKVDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-5-10-9(4-1)13-8-12-11(14(10)16-13)6-3-7-15-12/h1-4,6,10-11,13-14,16H,5,7-8H2.
What are the key properties of 6,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene?
6,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene has a molecular weight of 212.30 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,16-diazatetracyclo[7.6.1.02,7.010,15]hexadeca-3,6,10,12-tetraene is sourced from PubChem (CID 56994580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).