7-butyl-1,6-diazatricyclo[7.4.0.02,6]tridecane

C15H28N2 — CID 616600

IUPAC7-butyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
SMILESCCCCC1CC2CCCCN2C2CCCN12
InChIInChI=1S/C15H28N2/c1-2-3-7-13-12-14-8-4-5-10-16(14)15-9-6-11-17(13)15/h13-15H,2-12H2,1H3
InChIKeyIZTRCXOGWXUQHC-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.23
Rot. Bonds3

About 7-butyl-1,6-diazatricyclo[7.4.0.02,6]tridecane

7-butyl-1,6-diazatricyclo[7.4.0.02,6]tridecane (PubChem CID 616600) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 7-butyl-1,6-diazatricyclo[7.4.0.02,6]tridecane.

Molecular Properties

Compound Name7-butyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
PubChem CID616600
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name7-butyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
SMILESCCCCC1CC2CCCCN2C2CCCN12
InChIInChI=1S/C15H28N2/c1-2-3-7-13-12-14-8-4-5-10-16(14)15-9-6-11-17(13)15/h13-15H,2-12H2,1H3
InChIKeyIZTRCXOGWXUQHC-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Lzwjlkslnysqfc-arfhvfglsa-
CID 10890345
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CID 606460
Lzwjlkslnysqfc-bzuaxinksa-
CID 10890344
(2S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
CID 370510
5-Propyldecahydro-5H-pyrido[1,2-c]pyrrolo[1,2-a]pyrimidine
CID 495078
7,9-Diazatricyclo[7.4.0.02,7]tridecane
CID 12424709
(2S,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
CID 11106959
(2R,7S,9R)-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile
CID 14565958
(7S,9R)-7-pentyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
CID 134845314
(7R,9R)-7-pentyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
CID 134845406
(2S,7R,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
CID 10867899
Mmlbzhspgliron-xqqfmlrxsa-
CID 21729863

Frequently Asked Questions

What is the IUPAC name of 7-butyl-1,6-diazatricyclo[7.4.0.02,6]tridecane?
The IUPAC name of 7-butyl-1,6-diazatricyclo[7.4.0.02,6]tridecane (CID 616600) is 7-butyl-1,6-diazatricyclo[7.4.0.02,6]tridecane.
What is the SMILES notation for 7-butyl-1,6-diazatricyclo[7.4.0.02,6]tridecane?
The canonical SMILES for 7-butyl-1,6-diazatricyclo[7.4.0.02,6]tridecane is CCCCC1CC2CCCCN2C2CCCN12.
What is the InChIKey of 7-butyl-1,6-diazatricyclo[7.4.0.02,6]tridecane?
The InChIKey is IZTRCXOGWXUQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-3-7-13-12-14-8-4-5-10-16(14)15-9-6-11-17(13)15/h13-15H,2-12H2,1H3.
What are the key properties of 7-butyl-1,6-diazatricyclo[7.4.0.02,6]tridecane?
7-butyl-1,6-diazatricyclo[7.4.0.02,6]tridecane has a molecular weight of 236.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-1,6-diazatricyclo[7.4.0.02,6]tridecane is sourced from PubChem (CID 616600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).