N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine

C8H16N2 — CID 83904907

IUPACN-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine
SMILESCNC1CC2CCCN2C1
InChIInChI=1S/C8H16N2/c1-9-7-5-8-3-2-4-10(8)6-7/h7-9H,2-6H2,1H3
InChIKeyWDAHFOZDRTZNHU-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.44
Rot. Bonds1

About N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine

N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine (PubChem CID 83904907) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine.

Molecular Properties

Compound NameN-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine
PubChem CID83904907
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine
SMILESCNC1CC2CCCN2C1
InChIInChI=1S/C8H16N2/c1-9-7-5-8-3-2-4-10(8)6-7/h7-9H,2-6H2,1H3
InChIKeyWDAHFOZDRTZNHU-UHFFFAOYSA-N
XLogP0.44
TPSA15.27 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 ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine?
The IUPAC name of N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine (CID 83904907) is N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine.
What is the SMILES notation for N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine?
The canonical SMILES for N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine is CNC1CC2CCCN2C1.
What is the InChIKey of N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine?
The InChIKey is WDAHFOZDRTZNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-9-7-5-8-3-2-4-10(8)6-7/h7-9H,2-6H2,1H3.
What are the key properties of N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine?
N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine has a molecular weight of 140.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-amine is sourced from PubChem (CID 83904907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).