[(2S,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine

C9H18N2 — CID 118109226

IUPAC[(2S,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
SMILESC[C@@H]1CN2CCC[C@@]2(CN)C1
InChIInChI=1S/C9H18N2/c1-8-5-9(7-10)3-2-4-11(9)6-8/h8H,2-7,10H2,1H3/t8-,9-/m0/s1
InChIKeyNUPLZKLBPYEWNB-IUCAKERBSA-N
MW154.26 g/mol
LogP0.82
Rot. Bonds1

About [(2S,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine

[(2S,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine (PubChem CID 118109226) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is [(2S,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine.

Molecular Properties

Compound Name[(2S,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
PubChem CID118109226
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name[(2S,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
SMILESC[C@@H]1CN2CCC[C@@]2(CN)C1
InChIInChI=1S/C9H18N2/c1-8-5-9(7-10)3-2-4-11(9)6-8/h8H,2-7,10H2,1H3/t8-,9-/m0/s1
InChIKeyNUPLZKLBPYEWNB-IUCAKERBSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
The IUPAC name of [(2S,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine (CID 118109226) is [(2S,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine.
What is the SMILES notation for [(2S,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
The canonical SMILES for [(2S,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine is C[C@@H]1CN2CCC[C@@]2(CN)C1.
What is the InChIKey of [(2S,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
The InChIKey is NUPLZKLBPYEWNB-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18N2/c1-8-5-9(7-10)3-2-4-11(9)6-8/h8H,2-7,10H2,1H3/t8-,9-/m0/s1.
What are the key properties of [(2S,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
[(2S,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine has a molecular weight of 154.26 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine is sourced from PubChem (CID 118109226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).