2-methoxy-3-(3-methyl-2,5-dihydropyrrol-1-yl)propan-1-amine

C9H18N2O — CID 123192097

IUPAC2-methoxy-3-(3-methyl-2,5-dihydropyrrol-1-yl)propan-1-amine
SMILESCOC(CN)CN1CC=C(C)C1
InChIInChI=1S/C9H18N2O/c1-8-3-4-11(6-8)7-9(5-10)12-2/h3,9H,4-7,10H2,1-2H3
InChIKeyZYRCMURBJTYTFB-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.22
Rot. Bonds4

About 2-methoxy-3-(3-methyl-2,5-dihydropyrrol-1-yl)propan-1-amine

2-methoxy-3-(3-methyl-2,5-dihydropyrrol-1-yl)propan-1-amine (PubChem CID 123192097) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-methoxy-3-(3-methyl-2,5-dihydropyrrol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-(3-methyl-2,5-dihydropyrrol-1-yl)propan-1-amine
PubChem CID123192097
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-methoxy-3-(3-methyl-2,5-dihydropyrrol-1-yl)propan-1-amine
SMILESCOC(CN)CN1CC=C(C)C1
InChIInChI=1S/C9H18N2O/c1-8-3-4-11(6-8)7-9(5-10)12-2/h3,9H,4-7,10H2,1-2H3
InChIKeyZYRCMURBJTYTFB-UHFFFAOYSA-N
XLogP0.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-methoxy-3-(3-methyl-2,5-dihydropyrrol-1-yl)propan-1-amine?
The IUPAC name of 2-methoxy-3-(3-methyl-2,5-dihydropyrrol-1-yl)propan-1-amine (CID 123192097) is 2-methoxy-3-(3-methyl-2,5-dihydropyrrol-1-yl)propan-1-amine.
What is the SMILES notation for 2-methoxy-3-(3-methyl-2,5-dihydropyrrol-1-yl)propan-1-amine?
The canonical SMILES for 2-methoxy-3-(3-methyl-2,5-dihydropyrrol-1-yl)propan-1-amine is COC(CN)CN1CC=C(C)C1.
What is the InChIKey of 2-methoxy-3-(3-methyl-2,5-dihydropyrrol-1-yl)propan-1-amine?
The InChIKey is ZYRCMURBJTYTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8-3-4-11(6-8)7-9(5-10)12-2/h3,9H,4-7,10H2,1-2H3.
What are the key properties of 2-methoxy-3-(3-methyl-2,5-dihydropyrrol-1-yl)propan-1-amine?
2-methoxy-3-(3-methyl-2,5-dihydropyrrol-1-yl)propan-1-amine has a molecular weight of 170.26 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3-methyl-2,5-dihydropyrrol-1-yl)propan-1-amine is sourced from PubChem (CID 123192097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).