5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

C14H20N2 — CID 118055298

IUPAC5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCCCc1ccc2c3c1CCN3CCNC2
InChIInChI=1S/C14H20N2/c1-2-3-11-4-5-12-10-15-7-9-16-8-6-13(11)14(12)16/h4-5,15H,2-3,6-10H2,1H3
InChIKeySWJXBNJIPGXWKM-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.10
Rot. Bonds2

About 5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 118055298) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID118055298
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCCCc1ccc2c3c1CCN3CCNC2
InChIInChI=1S/C14H20N2/c1-2-3-11-4-5-12-10-15-7-9-16-8-6-13(11)14(12)16/h4-5,15H,2-3,6-10H2,1H3
InChIKeySWJXBNJIPGXWKM-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(piperidin-1-ylmethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055322
5-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055306
5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055341
5-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 118055302
4,4-dimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 86712750
1,4-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 139941681
5-nonyl-1,2,3,4-tetrahydroisoquinoline
CID 106778358
8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
CID 177102462
(3R)-3,4,4-trimethyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 124647429
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 115104802
7-propyl-1,2,3,4-tetrahydroquinolin-8-ol
CID 119085826
2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline
CID 143173694

Frequently Asked Questions

What is the IUPAC name of 5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of 5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 118055298) is 5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for 5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for 5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is CCCc1ccc2c3c1CCN3CCNC2.
What is the InChIKey of 5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is SWJXBNJIPGXWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-3-11-4-5-12-10-15-7-9-16-8-6-13(11)14(12)16/h4-5,15H,2-3,6-10H2,1H3.
What are the key properties of 5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene has a molecular weight of 216.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 118055298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).