17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene

C16H25N — CID 102340660

IUPAC17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
SMILESc1cc2nc(c1)CCCCCCCCCCC2
InChIInChI=1S/C16H25N/c1-2-4-6-8-11-15-13-10-14-16(17-15)12-9-7-5-3-1/h10,13-14H,1-9,11-12H2
InChIKeyBHIOKXYOFQCOOW-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.69
Rot. Bonds

About 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene

17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene (PubChem CID 102340660) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene.

Molecular Properties

Compound Name17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
PubChem CID102340660
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene
SMILESc1cc2nc(c1)CCCCCCCCCCC2
InChIInChI=1S/C16H25N/c1-2-4-6-8-11-15-13-10-14-16(17-15)12-9-7-5-3-1/h10,13-14H,1-9,11-12H2
InChIKeyBHIOKXYOFQCOOW-UHFFFAOYSA-N
XLogP4.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

15,16-diazatricyclo[9.3.1.13,7]hexadeca-1(14),3,5,7(16),11(15),12-hexaene
CID 58836151
27,28,29,30-tetrazapentacyclo[21.3.1.12,6.110,14.115,19]triaconta-1(26),2,4,6(30),10(29),11,13,15,17,19(28),23(27),24-dodecaene
CID 21365713
6,9-dioxa-3,18-diazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene
CID 161101695
(2S,3R)-3-methyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-2-ol
CID 162978524
1,12,17-triazatricyclo[10.2.2.13,7]heptadeca-3,5,7(17)-trien-13-one
CID 159193893
10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene
CID 167345618
3,7-diselena-13-azabicyclo[7.3.1]trideca-1(13),9,11-triene
CID 101482918
3,9-dioxa-15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene-4,8-dione
CID 13299240
3,4,7,18-tetrazatricyclo[12.3.1.02,6]octadeca-1(17),2(6),4,14(18),15-pentaen-8-one
CID 175861405
14-oxa-3,4,13-triazatricyclo[7.3.1.12,5]tetradeca-1(12),2,4,9(13),10-pentaene
CID 163539764
5,13,14-triazatricyclo[7.3.1.13,7]tetradeca-1(13),3,5,7(14),9,11-hexaene
CID 134507697
3,6,10,16-tetrazabicyclo[10.3.1]hexadeca-1(15),12(16),13-triene
CID 56616203

Frequently Asked Questions

What is the IUPAC name of 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene?
The IUPAC name of 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene (CID 102340660) is 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene.
What is the SMILES notation for 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene?
The canonical SMILES for 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene is c1cc2nc(c1)CCCCCCCCCCC2.
What is the InChIKey of 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene?
The InChIKey is BHIOKXYOFQCOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-2-4-6-8-11-15-13-10-14-16(17-15)12-9-7-5-3-1/h10,13-14H,1-9,11-12H2.
What are the key properties of 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene?
17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene has a molecular weight of 231.38 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-azabicyclo[11.3.1]heptadeca-1(17),13,15-triene is sourced from PubChem (CID 102340660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).