(1S,2S,9R,10R)-10-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one

C16H26N2O — CID 15939872

IUPAC(1S,2S,9R,10R)-10-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
SMILESC[C@]12CCCCN1C[C@@H]1C[C@H]2C(=O)N2CCCC[C@@H]12
InChIInChI=1S/C16H26N2O/c1-16-7-3-5-8-17(16)11-12-10-13(16)15(19)18-9-4-2-6-14(12)18/h12-14H,2-11H2,1H3/t12-,13-,14-,16+/m0/s1
InChIKeyLICMSVPJBDAULC-RZLSGREXSA-N
MW262.40 g/mol
LogP2.26
Rot. Bonds

About (1S,2S,9R,10R)-10-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one

(1S,2S,9R,10R)-10-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one (PubChem CID 15939872) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (1S,2S,9R,10R)-10-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one.

Molecular Properties

Compound Name(1S,2S,9R,10R)-10-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
PubChem CID15939872
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(1S,2S,9R,10R)-10-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one
SMILESC[C@]12CCCCN1C[C@@H]1C[C@H]2C(=O)N2CCCC[C@@H]12
InChIInChI=1S/C16H26N2O/c1-16-7-3-5-8-17(16)11-12-10-13(16)15(19)18-9-4-2-6-14(12)18/h12-14H,2-11H2,1H3/t12-,13-,14-,16+/m0/s1
InChIKeyLICMSVPJBDAULC-RZLSGREXSA-N
XLogP2.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,9R,10R)-10-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one?
The IUPAC name of (1S,2S,9R,10R)-10-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one (CID 15939872) is (1S,2S,9R,10R)-10-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one.
What is the SMILES notation for (1S,2S,9R,10R)-10-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one?
The canonical SMILES for (1S,2S,9R,10R)-10-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one is C[C@]12CCCCN1C[C@@H]1C[C@H]2C(=O)N2CCCC[C@@H]12.
What is the InChIKey of (1S,2S,9R,10R)-10-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one?
The InChIKey is LICMSVPJBDAULC-RZLSGREXSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16-7-3-5-8-17(16)11-12-10-13(16)15(19)18-9-4-2-6-14(12)18/h12-14H,2-11H2,1H3/t12-,13-,14-,16+/m0/s1.
What are the key properties of (1S,2S,9R,10R)-10-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one?
(1S,2S,9R,10R)-10-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one has a molecular weight of 262.40 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,9R,10R)-10-methyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-8-one is sourced from PubChem (CID 15939872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).