[(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine

C11H22N2 — CID 51893234

IUPAC[(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
SMILESCC(C)N1[C@@H]2CC[C@H]1CC(CN)C2
InChIInChI=1S/C11H22N2/c1-8(2)13-10-3-4-11(13)6-9(5-10)7-12/h8-11H,3-7,12H2,1-2H3/t9?,10-,11+
InChIKeyJVFMBGTYRJMVGA-FGWVZKOKSA-N
MW182.31 g/mol
LogP1.60
Rot. Bonds2

About [(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine

[(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine (PubChem CID 51893234) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is [(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine.

Molecular Properties

Compound Name[(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
PubChem CID51893234
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name[(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
SMILESCC(C)N1[C@@H]2CC[C@H]1CC(CN)C2
InChIInChI=1S/C11H22N2/c1-8(2)13-10-3-4-11(13)6-9(5-10)7-12/h8-11H,3-7,12H2,1-2H3/t9?,10-,11+
InChIKeyJVFMBGTYRJMVGA-FGWVZKOKSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The IUPAC name of [(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine (CID 51893234) is [(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine.
What is the SMILES notation for [(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The canonical SMILES for [(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine is CC(C)N1[C@@H]2CC[C@H]1CC(CN)C2.
What is the InChIKey of [(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
The InChIKey is JVFMBGTYRJMVGA-FGWVZKOKSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)13-10-3-4-11(13)6-9(5-10)7-12/h8-11H,3-7,12H2,1-2H3/t9?,10-,11+.
What are the key properties of [(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine?
[(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine has a molecular weight of 182.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine is sourced from PubChem (CID 51893234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).