7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,11-diene

C12H18N2 — CID 163827048

IUPAC7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,11-diene
SMILESC1=CN2CCN3CCC=CC3C2CC1
InChIInChI=1S/C12H18N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1,4-5,8,11-12H,2-3,6-7,9-10H2
InChIKeyOAJHNYQZLYEJQY-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.61
Rot. Bonds

About 7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,11-diene

7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,11-diene (PubChem CID 163827048) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,11-diene.

Molecular Properties

Compound Name7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,11-diene
PubChem CID163827048
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,11-diene
SMILESC1=CN2CCN3CCC=CC3C2CC1
InChIInChI=1S/C12H18N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1,4-5,8,11-12H,2-3,6-7,9-10H2
InChIKeyOAJHNYQZLYEJQY-UHFFFAOYSA-N
XLogP1.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-Piperidin-1-ylcyclohex-2-en-1-yl)piperidine
CID 14315940
1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine
CID 135086295
1,4-Di(cyclohexen-1-yl)piperazine
CID 12514864
7,10-Diazatricyclo[8.4.0.02,7]tetradeca-3,5,11,13-tetraene
CID 14735916
1,4-Di(cyclohexen-1-yl)-2,5-diethylpiperazine
CID 21547894
2,3,4,9a-tetrahydro-1H-quinolizine
CID 22156597
1-Cyclohex-2-en-1-yl-4-methylpiperazine
CID 67175725
4-Methylidene-1,2,3,6,7,9a-hexahydroquinolizine
CID 123525197
1-Ethyl-2-methyl-1,3,4,8-tetrahydropyrido[1,2-a]pyrazine
CID 126635605
1-Hexan-3-yl-4-methyl-2,3,4a,8a-tetrahydroquinoxaline
CID 139398983
1-Cyclohexa-1,5-dien-1-yl-4-cyclohexylpiperazine
CID 141053416
1,4-Bis(prop-2-enyl)-2,3,4a,5-tetrahydroquinoxaline
CID 142305779

Frequently Asked Questions

What is the IUPAC name of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,11-diene?
The IUPAC name of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,11-diene (CID 163827048) is 7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,11-diene.
What is the SMILES notation for 7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,11-diene?
The canonical SMILES for 7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,11-diene is C1=CN2CCN3CCC=CC3C2CC1.
What is the InChIKey of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,11-diene?
The InChIKey is OAJHNYQZLYEJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1,4-5,8,11-12H,2-3,6-7,9-10H2.
What are the key properties of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,11-diene?
7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,11-diene has a molecular weight of 190.29 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diazatricyclo[8.4.0.02,7]tetradeca-3,11-diene is sourced from PubChem (CID 163827048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).