(2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

C15H26N2 — CID 52951065

IUPAC(2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESC1CCN2CC3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1
InChIInChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13?,14+,15-/m0/s1
InChIKeySLRCCWJSBJZJBV-LRMYVUMKSA-N
MW234.39 g/mol
LogP2.35
Rot. Bonds

About (2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

(2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (PubChem CID 52951065) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.

Molecular Properties

Compound Name(2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
PubChem CID52951065
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESC1CCN2CC3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1
InChIInChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13?,14+,15-/m0/s1
InChIKeySLRCCWJSBJZJBV-LRMYVUMKSA-N
XLogP2.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The IUPAC name of (2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (CID 52951065) is (2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.
What is the SMILES notation for (2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The canonical SMILES for (2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is C1CCN2CC3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1.
What is the InChIKey of (2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The InChIKey is SLRCCWJSBJZJBV-LRMYVUMKSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13?,14+,15-/m0/s1.
What are the key properties of (2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
(2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane has a molecular weight of 234.39 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is sourced from PubChem (CID 52951065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).