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

C8H16N2 — CID 11298012

IUPAC(1S)-N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCN[C@H]1CCN2CCCC12
InChIInChI=1S/C8H16N2/c1-9-7-4-6-10-5-2-3-8(7)10/h7-9H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyRVQVZHZZSILSGL-JAMMHHFISA-N
MW140.23 g/mol
LogP0.44
Rot. Bonds1

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

(1S)-N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 11298012) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1S)-N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound Name(1S)-N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID11298012
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1S)-N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCN[C@H]1CCN2CCCC12
InChIInChI=1S/C8H16N2/c1-9-7-4-6-10-5-2-3-8(7)10/h7-9H,2-6H2,1H3/t7-,8?/m0/s1
InChIKeyRVQVZHZZSILSGL-JAMMHHFISA-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 (1S)-N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of (1S)-N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 11298012) is (1S)-N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for (1S)-N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for (1S)-N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CN[C@H]1CCN2CCCC12.
What is the InChIKey of (1S)-N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is RVQVZHZZSILSGL-JAMMHHFISA-N. The full InChI is InChI=1S/C8H16N2/c1-9-7-4-6-10-5-2-3-8(7)10/h7-9H,2-6H2,1H3/t7-,8?/m0/s1.
What are the key properties of (1S)-N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
(1S)-N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-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 (1S)-N-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 11298012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).