(2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane

C15H26N2 — CID 25105514

IUPAC(2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane
SMILESC1C[C@@H]2CCCN3[C@@H]2[C@@H](C1)CN1CCCC[C@H]13
InChIInChI=1S/C15H26N2/c1-2-9-16-11-13-6-3-5-12-7-4-10-17(15(12)13)14(16)8-1/h12-15H,1-11H2/t12-,13+,14-,15+/m1/s1
InChIKeyZUZDBCDZKDLXPJ-BARDWOONSA-N
MW234.39 g/mol
LogP2.69
Rot. Bonds

About (2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane

(2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane (PubChem CID 25105514) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane.

Molecular Properties

Compound Name(2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane
PubChem CID25105514
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane
SMILESC1C[C@@H]2CCCN3[C@@H]2[C@@H](C1)CN1CCCC[C@H]13
InChIInChI=1S/C15H26N2/c1-2-9-16-11-13-6-3-5-12-7-4-10-17(15(12)13)14(16)8-1/h12-15H,1-11H2/t12-,13+,14-,15+/m1/s1
InChIKeyZUZDBCDZKDLXPJ-BARDWOONSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane with MolForge

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Related Compounds

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(1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane
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1-azatricyclo[5.4.1.04,12]dodecane
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CID 131705291
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(1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
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2,4-diazatricyclo[6.4.1.04,13]tridecane
CID 166949763
(1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride
CID 169440912
[(1R,2R,8R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of (2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane?
The IUPAC name of (2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane (CID 25105514) is (2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane.
What is the SMILES notation for (2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane?
The canonical SMILES for (2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane is C1C[C@@H]2CCCN3[C@@H]2[C@@H](C1)CN1CCCC[C@H]13.
What is the InChIKey of (2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane?
The InChIKey is ZUZDBCDZKDLXPJ-BARDWOONSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-9-16-11-13-6-3-5-12-7-4-10-17(15(12)13)14(16)8-1/h12-15H,1-11H2/t12-,13+,14-,15+/m1/s1.
What are the key properties of (2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane?
(2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane has a molecular weight of 234.39 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane is sourced from PubChem (CID 25105514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).