(1S)-1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-1-(methylamino)propan-2-one

C15H27NO — CID 129046183

IUPAC(1S)-1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-1-(methylamino)propan-2-one
SMILESCN[C@H](C(C)=O)C12CC(C)CC(CC(C)C1)C2
InChIInChI=1S/C15H27NO/c1-10-5-13-6-11(2)8-15(7-10,9-13)14(16-4)12(3)17/h10-11,13-14,16H,5-9H2,1-4H3/t10?,11?,13?,14-,15?/m1/s1
InChIKeyPCHQRRSKGLPREH-DYNRDFFQSA-N
MW237.39 g/mol
LogP3.02
Rot. Bonds3

About (1S)-1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-1-(methylamino)propan-2-one

(1S)-1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-1-(methylamino)propan-2-one (PubChem CID 129046183) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (1S)-1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-1-(methylamino)propan-2-one.

Molecular Properties

Compound Name(1S)-1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-1-(methylamino)propan-2-one
PubChem CID129046183
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(1S)-1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-1-(methylamino)propan-2-one
SMILESCN[C@H](C(C)=O)C12CC(C)CC(CC(C)C1)C2
InChIInChI=1S/C15H27NO/c1-10-5-13-6-11(2)8-15(7-10,9-13)14(16-4)12(3)17/h10-11,13-14,16H,5-9H2,1-4H3/t10?,11?,13?,14-,15?/m1/s1
InChIKeyPCHQRRSKGLPREH-DYNRDFFQSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-1-(methylamino)propan-2-one?
The IUPAC name of (1S)-1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-1-(methylamino)propan-2-one (CID 129046183) is (1S)-1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-1-(methylamino)propan-2-one.
What is the SMILES notation for (1S)-1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-1-(methylamino)propan-2-one?
The canonical SMILES for (1S)-1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-1-(methylamino)propan-2-one is CN[C@H](C(C)=O)C12CC(C)CC(CC(C)C1)C2.
What is the InChIKey of (1S)-1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-1-(methylamino)propan-2-one?
The InChIKey is PCHQRRSKGLPREH-DYNRDFFQSA-N. The full InChI is InChI=1S/C15H27NO/c1-10-5-13-6-11(2)8-15(7-10,9-13)14(16-4)12(3)17/h10-11,13-14,16H,5-9H2,1-4H3/t10?,11?,13?,14-,15?/m1/s1.
What are the key properties of (1S)-1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-1-(methylamino)propan-2-one?
(1S)-1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-1-(methylamino)propan-2-one has a molecular weight of 237.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-1-(methylamino)propan-2-one is sourced from PubChem (CID 129046183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).