(2-amino-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanol

C8H16N2O — CID 44631191

IUPAC(2-amino-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanol
SMILESNC1CN2CCCC2C1CO
InChIInChI=1S/C8H16N2O/c9-7-4-10-3-1-2-8(10)6(7)5-11/h6-8,11H,1-5,9H2
InChIKeyRHNMTFZNJBRWEL-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.60
Rot. Bonds1

About (2-amino-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanol

(2-amino-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanol (PubChem CID 44631191) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (2-amino-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanol.

Molecular Properties

Compound Name(2-amino-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanol
PubChem CID44631191
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(2-amino-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanol
SMILESNC1CN2CCCC2C1CO
InChIInChI=1S/C8H16N2O/c9-7-4-10-3-1-2-8(10)6(7)5-11/h6-8,11H,1-5,9H2
InChIKeyRHNMTFZNJBRWEL-UHFFFAOYSA-N
XLogP-0.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanol?
The IUPAC name of (2-amino-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanol (CID 44631191) is (2-amino-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanol.
What is the SMILES notation for (2-amino-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanol?
The canonical SMILES for (2-amino-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanol is NC1CN2CCCC2C1CO.
What is the InChIKey of (2-amino-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanol?
The InChIKey is RHNMTFZNJBRWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-7-4-10-3-1-2-8(10)6(7)5-11/h6-8,11H,1-5,9H2.
What are the key properties of (2-amino-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanol?
(2-amino-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanol has a molecular weight of 156.23 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)methanol is sourced from PubChem (CID 44631191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).