6-methyl-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine

C12H21NO — CID 163656568

IUPAC6-methyl-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCC1=CC2(COC(C)C)CCCN2C1
InChIInChI=1S/C12H21NO/c1-10(2)14-9-12-5-4-6-13(12)8-11(3)7-12/h7,10H,4-6,8-9H2,1-3H3
InChIKeyNFOGCJLDNFZMJP-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.21
Rot. Bonds3

About 6-methyl-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine

6-methyl-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine (PubChem CID 163656568) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 6-methyl-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine.

Molecular Properties

Compound Name6-methyl-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
PubChem CID163656568
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name6-methyl-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCC1=CC2(COC(C)C)CCCN2C1
InChIInChI=1S/C12H21NO/c1-10(2)14-9-12-5-4-6-13(12)8-11(3)7-12/h7,10H,4-6,8-9H2,1-3H3
InChIKeyNFOGCJLDNFZMJP-UHFFFAOYSA-N
XLogP2.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The IUPAC name of 6-methyl-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine (CID 163656568) is 6-methyl-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine.
What is the SMILES notation for 6-methyl-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The canonical SMILES for 6-methyl-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine is CC1=CC2(COC(C)C)CCCN2C1.
What is the InChIKey of 6-methyl-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The InChIKey is NFOGCJLDNFZMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)14-9-12-5-4-6-13(12)8-11(3)7-12/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of 6-methyl-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine?
6-methyl-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine has a molecular weight of 195.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine is sourced from PubChem (CID 163656568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).