11-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane

C14H26N2 — CID 123337071

IUPAC11-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane
SMILESCCCN1CC2CC(C1)C1CCCCN1C2
InChIInChI=1S/C14H26N2/c1-2-6-15-9-12-8-13(11-15)14-5-3-4-7-16(14)10-12/h12-14H,2-11H2,1H3
InChIKeySMENKDIIOQLFLP-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.20
Rot. Bonds2

About 11-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane

11-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane (PubChem CID 123337071) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 11-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane.

Molecular Properties

Compound Name11-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane
PubChem CID123337071
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name11-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane
SMILESCCCN1CC2CC(C1)C1CCCCN1C2
InChIInChI=1S/C14H26N2/c1-2-6-15-9-12-8-13(11-15)14-5-3-4-7-16(14)10-12/h12-14H,2-11H2,1H3
InChIKeySMENKDIIOQLFLP-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane?
The IUPAC name of 11-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane (CID 123337071) is 11-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane.
What is the SMILES notation for 11-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane?
The canonical SMILES for 11-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane is CCCN1CC2CC(C1)C1CCCCN1C2.
What is the InChIKey of 11-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane?
The InChIKey is SMENKDIIOQLFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-6-15-9-12-8-13(11-15)14-5-3-4-7-16(14)10-12/h12-14H,2-11H2,1H3.
What are the key properties of 11-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane?
11-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane has a molecular weight of 222.38 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecane is sourced from PubChem (CID 123337071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).