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

C16H28N2 — CID 15939849

IUPAC(1S,2R,9S,10R)-2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESC[C@]12CCCCN1C[C@@H]1C[C@H]2CN2CCCC[C@H]12
InChIInChI=1S/C16H28N2/c1-16-7-3-5-9-18(16)11-13-10-14(16)12-17-8-4-2-6-15(13)17/h13-15H,2-12H2,1H3/t13-,14-,15+,16+/m0/s1
InChIKeyCMKZBDRPQFPVHH-CAOSSQGBSA-N
MW248.41 g/mol
LogP2.74
Rot. Bonds

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

(1S,2R,9S,10R)-2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (PubChem CID 15939849) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is (1S,2R,9S,10R)-2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.

Molecular Properties

Compound Name(1S,2R,9S,10R)-2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
PubChem CID15939849
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name(1S,2R,9S,10R)-2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESC[C@]12CCCCN1C[C@@H]1C[C@H]2CN2CCCC[C@H]12
InChIInChI=1S/C16H28N2/c1-16-7-3-5-9-18(16)11-13-10-14(16)12-17-8-4-2-6-15(13)17/h13-15H,2-12H2,1H3/t13-,14-,15+,16+/m0/s1
InChIKeyCMKZBDRPQFPVHH-CAOSSQGBSA-N
XLogP2.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,9S,10R)-2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The IUPAC name of (1S,2R,9S,10R)-2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (CID 15939849) is (1S,2R,9S,10R)-2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.
What is the SMILES notation for (1S,2R,9S,10R)-2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The canonical SMILES for (1S,2R,9S,10R)-2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is C[C@]12CCCCN1C[C@@H]1C[C@H]2CN2CCCC[C@H]12.
What is the InChIKey of (1S,2R,9S,10R)-2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The InChIKey is CMKZBDRPQFPVHH-CAOSSQGBSA-N. The full InChI is InChI=1S/C16H28N2/c1-16-7-3-5-9-18(16)11-13-10-14(16)12-17-8-4-2-6-15(13)17/h13-15H,2-12H2,1H3/t13-,14-,15+,16+/m0/s1.
What are the key properties of (1S,2R,9S,10R)-2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
(1S,2R,9S,10R)-2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane has a molecular weight of 248.41 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,9S,10R)-2-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is sourced from PubChem (CID 15939849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).