[(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine

C11H21N — CID 70639150

IUPAC[(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine
SMILESC[C@]1(CN)C[C@H]2CCCCC[C@H]21
InChIInChI=1S/C11H21N/c1-11(8-12)7-9-5-3-2-4-6-10(9)11/h9-10H,2-8,12H2,1H3/t9-,10-,11-/m1/s1
InChIKeyWGRGWXMGZYJMQJ-GMTAPVOTSA-N
MW167.30 g/mol
LogP2.55
Rot. Bonds1

About [(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine

[(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine (PubChem CID 70639150) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is [(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine.

Molecular Properties

Compound Name[(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine
PubChem CID70639150
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name[(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine
SMILESC[C@]1(CN)C[C@H]2CCCCC[C@H]21
InChIInChI=1S/C11H21N/c1-11(8-12)7-9-5-3-2-4-6-10(9)11/h9-10H,2-8,12H2,1H3/t9-,10-,11-/m1/s1
InChIKeyWGRGWXMGZYJMQJ-GMTAPVOTSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine?
The IUPAC name of [(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine (CID 70639150) is [(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine.
What is the SMILES notation for [(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine?
The canonical SMILES for [(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine is C[C@]1(CN)C[C@H]2CCCCC[C@H]21.
What is the InChIKey of [(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine?
The InChIKey is WGRGWXMGZYJMQJ-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H21N/c1-11(8-12)7-9-5-3-2-4-6-10(9)11/h9-10H,2-8,12H2,1H3/t9-,10-,11-/m1/s1.
What are the key properties of [(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine?
[(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine has a molecular weight of 167.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,7R,8S)-8-methyl-8-bicyclo[5.2.0]nonanyl]methanamine is sourced from PubChem (CID 70639150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).