N-methoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-amine

C12H24N2O2 — CID 170601393

IUPACN-methoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-amine
SMILESCONC1CN2CCCC2(COC(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-10(2)16-9-12-5-4-6-14(12)8-11(7-12)13-15-3/h10-11,13H,4-9H2,1-3H3
InChIKeyKGQIGEZVJGSIQE-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds5

About N-methoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-amine

N-methoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-amine (PubChem CID 170601393) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-methoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-amine.

Molecular Properties

Compound NameN-methoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-amine
PubChem CID170601393
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-methoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-amine
SMILESCONC1CN2CCCC2(COC(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-10(2)16-9-12-5-4-6-14(12)8-11(7-12)13-15-3/h10-11,13H,4-9H2,1-3H3
InChIKeyKGQIGEZVJGSIQE-UHFFFAOYSA-N
XLogP1.17
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-amine?
The IUPAC name of N-methoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-amine (CID 170601393) is N-methoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-amine.
What is the SMILES notation for N-methoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-amine?
The canonical SMILES for N-methoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-amine is CONC1CN2CCCC2(COC(C)C)C1.
What is the InChIKey of N-methoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-amine?
The InChIKey is KGQIGEZVJGSIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)16-9-12-5-4-6-14(12)8-11(7-12)13-15-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N-methoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-amine?
N-methoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-amine has a molecular weight of 228.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-amine is sourced from PubChem (CID 170601393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).