(1S,7R,14R)-2,13-diazatetracyclo[6.6.1.02,7.09,14]pentadec-8-ene

C13H20N2 — CID 71047571

IUPAC(1S,7R,14R)-2,13-diazatetracyclo[6.6.1.02,7.09,14]pentadec-8-ene
SMILESC1CN[C@@H]2C(=C3C[C@@H]2N2CCCC[C@H]32)C1
InChIInChI=1S/C13H20N2/c1-2-7-15-11(5-1)10-8-12(15)13-9(10)4-3-6-14-13/h11-14H,1-8H2/t11-,12+,13-/m1/s1
InChIKeyQFQTUZDPEMXTGK-FRRDWIJNSA-N
MW204.32 g/mol
LogP1.68
Rot. Bonds

About (1S,7R,14R)-2,13-diazatetracyclo[6.6.1.02,7.09,14]pentadec-8-ene

(1S,7R,14R)-2,13-diazatetracyclo[6.6.1.02,7.09,14]pentadec-8-ene (PubChem CID 71047571) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (1S,7R,14R)-2,13-diazatetracyclo[6.6.1.02,7.09,14]pentadec-8-ene.

Molecular Properties

Compound Name(1S,7R,14R)-2,13-diazatetracyclo[6.6.1.02,7.09,14]pentadec-8-ene
PubChem CID71047571
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(1S,7R,14R)-2,13-diazatetracyclo[6.6.1.02,7.09,14]pentadec-8-ene
SMILESC1CN[C@@H]2C(=C3C[C@@H]2N2CCCC[C@H]32)C1
InChIInChI=1S/C13H20N2/c1-2-7-15-11(5-1)10-8-12(15)13-9(10)4-3-6-14-13/h11-14H,1-8H2/t11-,12+,13-/m1/s1
InChIKeyQFQTUZDPEMXTGK-FRRDWIJNSA-N
XLogP1.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,7R,14R)-2,13-diazatetracyclo[6.6.1.02,7.09,14]pentadec-8-ene?
The IUPAC name of (1S,7R,14R)-2,13-diazatetracyclo[6.6.1.02,7.09,14]pentadec-8-ene (CID 71047571) is (1S,7R,14R)-2,13-diazatetracyclo[6.6.1.02,7.09,14]pentadec-8-ene.
What is the SMILES notation for (1S,7R,14R)-2,13-diazatetracyclo[6.6.1.02,7.09,14]pentadec-8-ene?
The canonical SMILES for (1S,7R,14R)-2,13-diazatetracyclo[6.6.1.02,7.09,14]pentadec-8-ene is C1CN[C@@H]2C(=C3C[C@@H]2N2CCCC[C@H]32)C1.
What is the InChIKey of (1S,7R,14R)-2,13-diazatetracyclo[6.6.1.02,7.09,14]pentadec-8-ene?
The InChIKey is QFQTUZDPEMXTGK-FRRDWIJNSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-7-15-11(5-1)10-8-12(15)13-9(10)4-3-6-14-13/h11-14H,1-8H2/t11-,12+,13-/m1/s1.
What are the key properties of (1S,7R,14R)-2,13-diazatetracyclo[6.6.1.02,7.09,14]pentadec-8-ene?
(1S,7R,14R)-2,13-diazatetracyclo[6.6.1.02,7.09,14]pentadec-8-ene has a molecular weight of 204.32 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R,14R)-2,13-diazatetracyclo[6.6.1.02,7.09,14]pentadec-8-ene is sourced from PubChem (CID 71047571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).