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

C10H20N2 — CID 11095041

IUPAC[(1S,7S)-1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
SMILESC[C@H]1CCN2CC[C@H](C)C12CN
InChIInChI=1S/C10H20N2/c1-8-3-5-12-6-4-9(2)10(8,12)7-11/h8-9H,3-7,11H2,1-2H3/t8-,9-/m0/s1
InChIKeySFJBLFUCXIHIDF-IUCAKERBSA-N
MW168.28 g/mol
LogP1.07
Rot. Bonds1

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

[(1S,7S)-1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine (PubChem CID 11095041) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is [(1S,7S)-1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine.

Molecular Properties

Compound Name[(1S,7S)-1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
PubChem CID11095041
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name[(1S,7S)-1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
SMILESC[C@H]1CCN2CC[C@H](C)C12CN
InChIInChI=1S/C10H20N2/c1-8-3-5-12-6-4-9(2)10(8,12)7-11/h8-9H,3-7,11H2,1-2H3/t8-,9-/m0/s1
InChIKeySFJBLFUCXIHIDF-IUCAKERBSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,7S)-1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
The IUPAC name of [(1S,7S)-1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine (CID 11095041) is [(1S,7S)-1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine.
What is the SMILES notation for [(1S,7S)-1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
The canonical SMILES for [(1S,7S)-1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine is C[C@H]1CCN2CC[C@H](C)C12CN.
What is the InChIKey of [(1S,7S)-1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
The InChIKey is SFJBLFUCXIHIDF-IUCAKERBSA-N. The full InChI is InChI=1S/C10H20N2/c1-8-3-5-12-6-4-9(2)10(8,12)7-11/h8-9H,3-7,11H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of [(1S,7S)-1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine?
[(1S,7S)-1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine has a molecular weight of 168.28 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,7S)-1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine is sourced from PubChem (CID 11095041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).