10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene

C20H34N2 — CID 143716496

IUPAC10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene
SMILESCCCCC1CCCCCCCC(CCC)c2cncnc21
InChIInChI=1S/C20H34N2/c1-3-5-12-18-14-10-8-6-7-9-13-17(11-4-2)19-15-21-16-22-20(18)19/h15-18H,3-14H2,1-2H3
InChIKeyBEAMPWYMCKJTKT-UHFFFAOYSA-N
MW302.51 g/mol
LogP6.38
Rot. Bonds5

About 10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene

10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene (PubChem CID 143716496) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene.

Molecular Properties

Compound Name10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene
PubChem CID143716496
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene
SMILESCCCCC1CCCCCCCC(CCC)c2cncnc21
InChIInChI=1S/C20H34N2/c1-3-5-12-18-14-10-8-6-7-9-13-17(11-4-2)19-15-21-16-22-20(18)19/h15-18H,3-14H2,1-2H3
InChIKeyBEAMPWYMCKJTKT-UHFFFAOYSA-N
XLogP6.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene
CID 143716559
2-ethyl-10-propyl-13-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
CID 143716592
11-methyl-5-propyl-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyrazine
CID 143716410
(2R)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene
CID 53243674
5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 58420594
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79738591
4-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 118961407
6-butyl-1-cyclohexyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 129024480
1-butyl-4-propylcyclononane
CID 123467552
2-butylcyclohexan-1-one;ethene
CID 174843360
2,16-dihexyl-29,31-dimethoxytricyclo[24.2.2.212,15]dotriaconta-1(29),12(32),13,15(31),26(30),27-hexaene-13,27-diol
CID 101261637
2-nonylcyclododecan-1-one
CID 14296722

Frequently Asked Questions

What is the IUPAC name of 10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene?
The IUPAC name of 10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene (CID 143716496) is 10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene.
What is the SMILES notation for 10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene?
The canonical SMILES for 10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene is CCCCC1CCCCCCCC(CCC)c2cncnc21.
What is the InChIKey of 10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene?
The InChIKey is BEAMPWYMCKJTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c1-3-5-12-18-14-10-8-6-7-9-13-17(11-4-2)19-15-21-16-22-20(18)19/h15-18H,3-14H2,1-2H3.
What are the key properties of 10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene?
10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene has a molecular weight of 302.51 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-2-propyl-12,14-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene is sourced from PubChem (CID 143716496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).