(2R,7S,8R,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane

C15H27N3 — CID 11878704

IUPAC(2R,7S,8R,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane
SMILESC1CN[C@H]2[C@@H](C1)[C@H]1CCCCN1[C@H]1CCCCN12
InChIInChI=1S/C15H27N3/c1-3-10-17-13(7-1)12-6-5-9-16-15(12)18-11-4-2-8-14(17)18/h12-16H,1-11H2/t12-,13+,14+,15+/m0/s1
InChIKeyBJPDKJGEOOTNHF-GBJTYRQASA-N
MW249.40 g/mol
LogP1.99
Rot. Bonds

About (2R,7S,8R,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane

(2R,7S,8R,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane (PubChem CID 11878704) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (2R,7S,8R,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane.

Molecular Properties

Compound Name(2R,7S,8R,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane
PubChem CID11878704
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(2R,7S,8R,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane
SMILESC1CN[C@H]2[C@@H](C1)[C@H]1CCCCN1[C@H]1CCCCN12
InChIInChI=1S/C15H27N3/c1-3-10-17-13(7-1)12-6-5-9-16-15(12)18-11-4-2-8-14(17)18/h12-16H,1-11H2/t12-,13+,14+,15+/m0/s1
InChIKeyBJPDKJGEOOTNHF-GBJTYRQASA-N
XLogP1.99
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,7S,8R,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane?
The IUPAC name of (2R,7S,8R,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane (CID 11878704) is (2R,7S,8R,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane.
What is the SMILES notation for (2R,7S,8R,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane?
The canonical SMILES for (2R,7S,8R,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane is C1CN[C@H]2[C@@H](C1)[C@H]1CCCCN1[C@H]1CCCCN12.
What is the InChIKey of (2R,7S,8R,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane?
The InChIKey is BJPDKJGEOOTNHF-GBJTYRQASA-N. The full InChI is InChI=1S/C15H27N3/c1-3-10-17-13(7-1)12-6-5-9-16-15(12)18-11-4-2-8-14(17)18/h12-16H,1-11H2/t12-,13+,14+,15+/m0/s1.
What are the key properties of (2R,7S,8R,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane?
(2R,7S,8R,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane has a molecular weight of 249.40 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S,8R,14R)-1,3,13-triazatetracyclo[12.4.0.02,7.08,13]octadecane is sourced from PubChem (CID 11878704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).