(1S,2R,10R,11R)-3,16-diazatetracyclo[8.8.1.02,7.011,16]nonadec-7-ene

C17H28N2 — CID 134827959

IUPAC(1S,2R,10R,11R)-3,16-diazatetracyclo[8.8.1.02,7.011,16]nonadec-7-ene
SMILESC1=C2CCCN[C@@H]2[C@@H]2CCN3CCCC[C@@H]3[C@H](C1)C2
InChIInChI=1S/C17H28N2/c1-2-10-19-11-8-15-12-14(16(19)5-1)7-6-13-4-3-9-18-17(13)15/h6,14-18H,1-5,7-12H2/t14-,15-,16-,17+/m1/s1
InChIKeySKZLOTRHYKMAOJ-VQHPVUNQSA-N
MW260.42 g/mol
LogP2.95
Rot. Bonds

About (1S,2R,10R,11R)-3,16-diazatetracyclo[8.8.1.02,7.011,16]nonadec-7-ene

(1S,2R,10R,11R)-3,16-diazatetracyclo[8.8.1.02,7.011,16]nonadec-7-ene (PubChem CID 134827959) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is (1S,2R,10R,11R)-3,16-diazatetracyclo[8.8.1.02,7.011,16]nonadec-7-ene.

Molecular Properties

Compound Name(1S,2R,10R,11R)-3,16-diazatetracyclo[8.8.1.02,7.011,16]nonadec-7-ene
PubChem CID134827959
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name(1S,2R,10R,11R)-3,16-diazatetracyclo[8.8.1.02,7.011,16]nonadec-7-ene
SMILESC1=C2CCCN[C@@H]2[C@@H]2CCN3CCCC[C@@H]3[C@H](C1)C2
InChIInChI=1S/C17H28N2/c1-2-10-19-11-8-15-12-14(16(19)5-1)7-6-13-4-3-9-18-17(13)15/h6,14-18H,1-5,7-12H2/t14-,15-,16-,17+/m1/s1
InChIKeySKZLOTRHYKMAOJ-VQHPVUNQSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.95
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,2R,10R,11R)-3,16-diazatetracyclo[8.8.1.02,7.011,16]nonadec-7-ene?
The IUPAC name of (1S,2R,10R,11R)-3,16-diazatetracyclo[8.8.1.02,7.011,16]nonadec-7-ene (CID 134827959) is (1S,2R,10R,11R)-3,16-diazatetracyclo[8.8.1.02,7.011,16]nonadec-7-ene.
What is the SMILES notation for (1S,2R,10R,11R)-3,16-diazatetracyclo[8.8.1.02,7.011,16]nonadec-7-ene?
The canonical SMILES for (1S,2R,10R,11R)-3,16-diazatetracyclo[8.8.1.02,7.011,16]nonadec-7-ene is C1=C2CCCN[C@@H]2[C@@H]2CCN3CCCC[C@@H]3[C@H](C1)C2.
What is the InChIKey of (1S,2R,10R,11R)-3,16-diazatetracyclo[8.8.1.02,7.011,16]nonadec-7-ene?
The InChIKey is SKZLOTRHYKMAOJ-VQHPVUNQSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-10-19-11-8-15-12-14(16(19)5-1)7-6-13-4-3-9-18-17(13)15/h6,14-18H,1-5,7-12H2/t14-,15-,16-,17+/m1/s1.
What are the key properties of (1S,2R,10R,11R)-3,16-diazatetracyclo[8.8.1.02,7.011,16]nonadec-7-ene?
(1S,2R,10R,11R)-3,16-diazatetracyclo[8.8.1.02,7.011,16]nonadec-7-ene has a molecular weight of 260.42 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,10R,11R)-3,16-diazatetracyclo[8.8.1.02,7.011,16]nonadec-7-ene is sourced from PubChem (CID 134827959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).