(1R,10S,11R,12R)-12-(dimethylamino)-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one

C16H28N2O — CID 70679855

IUPAC(1R,10S,11R,12R)-12-(dimethylamino)-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
SMILESC[C@H]1[C@H](N(C)C)CC[C@@]23CCCN2C(=O)CCC[C@@H]13
InChIInChI=1S/C16H28N2O/c1-12-13-6-4-7-15(19)18-11-5-9-16(13,18)10-8-14(12)17(2)3/h12-14H,4-11H2,1-3H3/t12-,13+,14-,16-/m1/s1
InChIKeySSPDNLNXJNMPPI-HLPPOEQASA-N
MW264.41 g/mol
LogP2.51
Rot. Bonds1

About (1R,10S,11R,12R)-12-(dimethylamino)-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one

(1R,10S,11R,12R)-12-(dimethylamino)-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one (PubChem CID 70679855) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (1R,10S,11R,12R)-12-(dimethylamino)-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one.

Molecular Properties

Compound Name(1R,10S,11R,12R)-12-(dimethylamino)-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
PubChem CID70679855
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(1R,10S,11R,12R)-12-(dimethylamino)-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
SMILESC[C@H]1[C@H](N(C)C)CC[C@@]23CCCN2C(=O)CCC[C@@H]13
InChIInChI=1S/C16H28N2O/c1-12-13-6-4-7-15(19)18-11-5-9-16(13,18)10-8-14(12)17(2)3/h12-14H,4-11H2,1-3H3/t12-,13+,14-,16-/m1/s1
InChIKeySSPDNLNXJNMPPI-HLPPOEQASA-N
XLogP2.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,10S,11R,12R)-12-(dimethylamino)-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one?
The IUPAC name of (1R,10S,11R,12R)-12-(dimethylamino)-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one (CID 70679855) is (1R,10S,11R,12R)-12-(dimethylamino)-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one.
What is the SMILES notation for (1R,10S,11R,12R)-12-(dimethylamino)-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one?
The canonical SMILES for (1R,10S,11R,12R)-12-(dimethylamino)-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one is C[C@H]1[C@H](N(C)C)CC[C@@]23CCCN2C(=O)CCC[C@@H]13.
What is the InChIKey of (1R,10S,11R,12R)-12-(dimethylamino)-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one?
The InChIKey is SSPDNLNXJNMPPI-HLPPOEQASA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-13-6-4-7-15(19)18-11-5-9-16(13,18)10-8-14(12)17(2)3/h12-14H,4-11H2,1-3H3/t12-,13+,14-,16-/m1/s1.
What are the key properties of (1R,10S,11R,12R)-12-(dimethylamino)-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one?
(1R,10S,11R,12R)-12-(dimethylamino)-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one has a molecular weight of 264.41 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10S,11R,12R)-12-(dimethylamino)-11-methyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one is sourced from PubChem (CID 70679855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).