10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene

C16H26N2 — CID 143716559

IUPAC10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene
SMILESCCCC1CCCCCCCCc2cncnc21
InChIInChI=1S/C16H26N2/c1-2-9-14-10-7-5-3-4-6-8-11-15-12-17-13-18-16(14)15/h12-14H,2-11H2,1H3
InChIKeyWTZNWIZBAVWPER-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.65
Rot. Bonds2

About 10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene

10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene (PubChem CID 143716559) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene.

Molecular Properties

Compound Name10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene
PubChem CID143716559
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene
SMILESCCCC1CCCCCCCCc2cncnc21
InChIInChI=1S/C16H26N2/c1-2-9-14-10-7-5-3-4-6-8-11-15-12-17-13-18-16(14)15/h12-14H,2-11H2,1H3
InChIKeyWTZNWIZBAVWPER-UHFFFAOYSA-N
XLogP4.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene
CID 143716496
11-methyl-5-propyl-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyrazine
CID 143716410
5-ethyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[c]pyridine
CID 143716647
7-propyl-6,6a,8,9,10,10a-hexahydro-5H-pyrido[2,3-h]quinazoline
CID 57007767
7-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 58752904
(3R)-1,2-dimethyl-3-propylcyclohexene
CID 143703597
(2R)-1-methylidene-2-propylcyclohexane
CID 134991246
2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
CID 143716592
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79738591
8-(2-aminoethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 83878214
(NZ)-N-[(2S)-2-propylcyclohexylidene]hydroxylamine
CID 93493217
7-tert-butyl-8-propan-2-yl-5,6,7,8-tetrahydroquinazoline
CID 139483250

Frequently Asked Questions

What is the IUPAC name of 10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene?
The IUPAC name of 10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene (CID 143716559) is 10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene.
What is the SMILES notation for 10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene?
The canonical SMILES for 10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene is CCCC1CCCCCCCCc2cncnc21.
What is the InChIKey of 10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene?
The InChIKey is WTZNWIZBAVWPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-9-14-10-7-5-3-4-6-8-11-15-12-17-13-18-16(14)15/h12-14H,2-11H2,1H3.
What are the key properties of 10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene?
10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene has a molecular weight of 246.40 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene is sourced from PubChem (CID 143716559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).