2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanamine

C8H16N2 — CID 15095969

IUPAC2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanamine
SMILESNCC1CCN2CCCC12
InChIInChI=1S/C8H16N2/c9-6-7-3-5-10-4-1-2-8(7)10/h7-8H,1-6,9H2
InChIKeyQQRBHSRNSWYCKJ-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.43
Rot. Bonds1

About 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanamine

2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanamine (PubChem CID 15095969) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanamine.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanamine
PubChem CID15095969
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanamine
SMILESNCC1CCN2CCCC12
InChIInChI=1S/C8H16N2/c9-6-7-3-5-10-4-1-2-8(7)10/h7-8H,1-6,9H2
InChIKeyQQRBHSRNSWYCKJ-UHFFFAOYSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanamine?
The IUPAC name of 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanamine (CID 15095969) is 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanamine.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanamine?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanamine is NCC1CCN2CCCC12.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanamine?
The InChIKey is QQRBHSRNSWYCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c9-6-7-3-5-10-4-1-2-8(7)10/h7-8H,1-6,9H2.
What are the key properties of 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanamine?
2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanamine has a molecular weight of 140.23 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethanamine is sourced from PubChem (CID 15095969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).