(1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

C15H26N2 — CID 118712523

IUPAC(1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESC1CN[C@@H]2C(C1)C[C@H]1C[C@@H]2CN2CCCC[C@H]12
InChIInChI=1S/C15H26N2/c1-2-7-17-10-13-9-12(14(17)5-1)8-11-4-3-6-16-15(11)13/h11-16H,1-10H2/t11?,12-,13+,14+,15+/m0/s1
InChIKeyPCTYDEAPIWWHMV-ADSKKKOISA-N
MW234.39 g/mol
LogP2.25
Rot. Bonds

About (1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

(1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (PubChem CID 118712523) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.

Molecular Properties

Compound Name(1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
PubChem CID118712523
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESC1CN[C@@H]2C(C1)C[C@H]1C[C@@H]2CN2CCCC[C@H]12
InChIInChI=1S/C15H26N2/c1-2-7-17-10-13-9-12(14(17)5-1)8-11-4-3-6-16-15(11)13/h11-16H,1-10H2/t11?,12-,13+,14+,15+/m0/s1
InChIKeyPCTYDEAPIWWHMV-ADSKKKOISA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The IUPAC name of (1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (CID 118712523) is (1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.
What is the SMILES notation for (1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The canonical SMILES for (1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is C1CN[C@@H]2C(C1)C[C@H]1C[C@@H]2CN2CCCC[C@H]12.
What is the InChIKey of (1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The InChIKey is PCTYDEAPIWWHMV-ADSKKKOISA-N. The full InChI is InChI=1S/C15H26N2/c1-2-7-17-10-13-9-12(14(17)5-1)8-11-4-3-6-16-15(11)13/h11-16H,1-10H2/t11?,12-,13+,14+,15+/m0/s1.
What are the key properties of (1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
(1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane has a molecular weight of 234.39 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,9S,10R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is sourced from PubChem (CID 118712523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).