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

C16H28N2O — CID 70679862

IUPAC(1R,10S,11R,12R)-12-amino-11-propyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
SMILESCCC[C@H]1[C@H](N)CC[C@@]23CCCN2C(=O)CCC[C@@H]13
InChIInChI=1S/C16H28N2O/c1-2-5-12-13-6-3-7-15(19)18-11-4-9-16(13,18)10-8-14(12)17/h12-14H,2-11,17H2,1H3/t12-,13+,14-,16-/m1/s1
InChIKeyHDKFZOAJLIYWJK-HLPPOEQASA-N
MW264.41 g/mol
LogP2.69
Rot. Bonds2

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

(1R,10S,11R,12R)-12-amino-11-propyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one (PubChem CID 70679862) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (1R,10S,11R,12R)-12-amino-11-propyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one.

Molecular Properties

Compound Name(1R,10S,11R,12R)-12-amino-11-propyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
PubChem CID70679862
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(1R,10S,11R,12R)-12-amino-11-propyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one
SMILESCCC[C@H]1[C@H](N)CC[C@@]23CCCN2C(=O)CCC[C@@H]13
InChIInChI=1S/C16H28N2O/c1-2-5-12-13-6-3-7-15(19)18-11-4-9-16(13,18)10-8-14(12)17/h12-14H,2-11,17H2,1H3/t12-,13+,14-,16-/m1/s1
InChIKeyHDKFZOAJLIYWJK-HLPPOEQASA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,10S,11R,12R)-12-amino-11-propyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,10S,11R,12R)-12-amino-11-propyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one?
The IUPAC name of (1R,10S,11R,12R)-12-amino-11-propyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one (CID 70679862) is (1R,10S,11R,12R)-12-amino-11-propyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one.
What is the SMILES notation for (1R,10S,11R,12R)-12-amino-11-propyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one?
The canonical SMILES for (1R,10S,11R,12R)-12-amino-11-propyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one is CCC[C@H]1[C@H](N)CC[C@@]23CCCN2C(=O)CCC[C@@H]13.
What is the InChIKey of (1R,10S,11R,12R)-12-amino-11-propyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one?
The InChIKey is HDKFZOAJLIYWJK-HLPPOEQASA-N. The full InChI is InChI=1S/C16H28N2O/c1-2-5-12-13-6-3-7-15(19)18-11-4-9-16(13,18)10-8-14(12)17/h12-14H,2-11,17H2,1H3/t12-,13+,14-,16-/m1/s1.
What are the key properties of (1R,10S,11R,12R)-12-amino-11-propyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one?
(1R,10S,11R,12R)-12-amino-11-propyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one has a molecular weight of 264.41 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10S,11R,12R)-12-amino-11-propyl-5-azatricyclo[8.4.0.01,5]tetradecan-6-one is sourced from PubChem (CID 70679862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).