2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine

C12H20N2O2 — CID 104624930

IUPAC2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
SMILESCn1ccc(CNCCC2(C)OCCO2)c1
InChIInChI=1S/C12H20N2O2/c1-12(15-7-8-16-12)4-5-13-9-11-3-6-14(2)10-11/h3,6,10,13H,4-5,7-9H2,1-2H3
InChIKeyASWUMHKTLQYQGV-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.27
Rot. Bonds5

About 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine

2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine (PubChem CID 104624930) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
PubChem CID104624930
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
SMILESCn1ccc(CNCCC2(C)OCCO2)c1
InChIInChI=1S/C12H20N2O2/c1-12(15-7-8-16-12)4-5-13-9-11-3-6-14(2)10-11/h3,6,10,13H,4-5,7-9H2,1-2H3
InChIKeyASWUMHKTLQYQGV-UHFFFAOYSA-N
XLogP1.27
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(13-Amino-4,7,10-trioxatridecanyl)-pyrrole
CID 86205812
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine
CID 66403904
N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methanamine
CID 66404084
2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66404193
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66404331
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66404557
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]ethanamine
CID 66404823
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 66404917
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]methyl]propan-1-amine
CID 66405335
2-methoxy-N-[[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 66405823
2-methyl-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66406609
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 66406843

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine (CID 104624930) is 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine is Cn1ccc(CNCCC2(C)OCCO2)c1.
What is the InChIKey of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is ASWUMHKTLQYQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(15-7-8-16-12)4-5-13-9-11-3-6-14(2)10-11/h3,6,10,13H,4-5,7-9H2,1-2H3.
What are the key properties of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine?
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 224.30 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 104624930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).