(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;perchloric acid

C15H27ClN2O4 — CID 131873771

IUPAC(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;perchloric acid
SMILESC1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C15H26N2.ClHO4/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;2-1(3,4)5/h12-15H,1-11H2;(H,2,3,4,5)/t12-,13-,14-,15+;/m0./s1
InChIKeyUTIRDNDBRZZPRN-UMEYXWOPSA-N
MW334.84 g/mol
LogP-1.78
Rot. Bonds

About (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;perchloric acid

(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;perchloric acid (PubChem CID 131873771) has the molecular formula C15H27ClN2O4 and a molecular weight of 334.84 g/mol. Its IUPAC name is (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;perchloric acid.

Molecular Properties

Compound Name(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;perchloric acid
PubChem CID131873771
Molecular FormulaC15H27ClN2O4
Molecular Weight334.84 g/mol
Exact Mass334.17
IUPAC Name(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;perchloric acid
SMILESC1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C15H26N2.ClHO4/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;2-1(3,4)5/h12-15H,1-11H2;(H,2,3,4,5)/t12-,13-,14-,15+;/m0./s1
InChIKeyUTIRDNDBRZZPRN-UMEYXWOPSA-N
XLogP-1.78
TPSA95.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 5-1.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;perchloric acid?
The IUPAC name of (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;perchloric acid (CID 131873771) is (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;perchloric acid.
What is the SMILES notation for (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;perchloric acid?
The canonical SMILES for (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;perchloric acid is C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;perchloric acid?
The InChIKey is UTIRDNDBRZZPRN-UMEYXWOPSA-N. The full InChI is InChI=1S/C15H26N2.ClHO4/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;2-1(3,4)5/h12-15H,1-11H2;(H,2,3,4,5)/t12-,13-,14-,15+;/m0./s1.
What are the key properties of (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;perchloric acid?
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;perchloric acid has a molecular weight of 334.84 g/mol, XLogP of -1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;perchloric acid is sourced from PubChem (CID 131873771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).