(1S,2S,10S,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane

C17H30N2 — CID 134946481

IUPAC(1S,2S,10S,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane
SMILESC[C@@H]1C[C@H]2CC3N[C@@H](C1)[C@@]21CCCN(C)CCC[C@H]31
InChIInChI=1S/C17H30N2/c1-12-9-13-11-15-14-5-3-7-19(2)8-4-6-17(13,14)16(10-12)18-15/h12-16,18H,3-11H2,1-2H3/t12-,13+,14-,15?,16+,17+/m1/s1
InChIKeyDJAJVKXYHMDFRT-VBRDEFGASA-N
MW262.44 g/mol
LogP2.88
Rot. Bonds

About (1S,2S,10S,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane

(1S,2S,10S,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane (PubChem CID 134946481) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is (1S,2S,10S,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane.

Molecular Properties

Compound Name(1S,2S,10S,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane
PubChem CID134946481
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name(1S,2S,10S,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane
SMILESC[C@@H]1C[C@H]2CC3N[C@@H](C1)[C@@]21CCCN(C)CCC[C@H]31
InChIInChI=1S/C17H30N2/c1-12-9-13-11-15-14-5-3-7-19(2)8-4-6-17(13,14)16(10-12)18-15/h12-16,18H,3-11H2,1-2H3/t12-,13+,14-,15?,16+,17+/m1/s1
InChIKeyDJAJVKXYHMDFRT-VBRDEFGASA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,10S,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane?
The IUPAC name of (1S,2S,10S,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane (CID 134946481) is (1S,2S,10S,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane.
What is the SMILES notation for (1S,2S,10S,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane?
The canonical SMILES for (1S,2S,10S,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane is C[C@@H]1C[C@H]2CC3N[C@@H](C1)[C@@]21CCCN(C)CCC[C@H]31.
What is the InChIKey of (1S,2S,10S,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane?
The InChIKey is DJAJVKXYHMDFRT-VBRDEFGASA-N. The full InChI is InChI=1S/C17H30N2/c1-12-9-13-11-15-14-5-3-7-19(2)8-4-6-17(13,14)16(10-12)18-15/h12-16,18H,3-11H2,1-2H3/t12-,13+,14-,15?,16+,17+/m1/s1.
What are the key properties of (1S,2S,10S,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane?
(1S,2S,10S,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane has a molecular weight of 262.44 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,10S,13S,15R)-6,15-dimethyl-6,12-diazatetracyclo[9.5.1.02,10.02,13]heptadecane is sourced from PubChem (CID 134946481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).