methylaminomethyl 3-ethylpyrrolidine-1-carboxylate

C9H18N2O2 — CID 171073093

IUPACmethylaminomethyl 3-ethylpyrrolidine-1-carboxylate
SMILESCCC1CCN(C(=O)OCNC)C1
InChIInChI=1S/C9H18N2O2/c1-3-8-4-5-11(6-8)9(12)13-7-10-2/h8,10H,3-7H2,1-2H3
InChIKeyIKALJADONBNDDX-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.03
Rot. Bonds3

About methylaminomethyl 3-ethylpyrrolidine-1-carboxylate

methylaminomethyl 3-ethylpyrrolidine-1-carboxylate (PubChem CID 171073093) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methylaminomethyl 3-ethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethylaminomethyl 3-ethylpyrrolidine-1-carboxylate
PubChem CID171073093
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethylaminomethyl 3-ethylpyrrolidine-1-carboxylate
SMILESCCC1CCN(C(=O)OCNC)C1
InChIInChI=1S/C9H18N2O2/c1-3-8-4-5-11(6-8)9(12)13-7-10-2/h8,10H,3-7H2,1-2H3
InChIKeyIKALJADONBNDDX-UHFFFAOYSA-N
XLogP1.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 4-ethylpiperidine-1-carboxylate
CID 70658235
2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate
CID 63263913
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115686899
2-hydroxyethyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 112629389
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone
CID 134471128
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
ethyl 3-ethyl-5-(methylamino)piperidine-1-carboxylate
CID 83989692
4-(methylaminomethyl)piperidine-1-carboxamide
CID 63248763
1-(3-ethylpyrrolidin-1-yl)but-2-yn-1-one
CID 127015121
but-2-ynyl 4-ethylpiperidine-1-carboxylate
CID 70798628

Frequently Asked Questions

What is the IUPAC name of methylaminomethyl 3-ethylpyrrolidine-1-carboxylate?
The IUPAC name of methylaminomethyl 3-ethylpyrrolidine-1-carboxylate (CID 171073093) is methylaminomethyl 3-ethylpyrrolidine-1-carboxylate.
What is the SMILES notation for methylaminomethyl 3-ethylpyrrolidine-1-carboxylate?
The canonical SMILES for methylaminomethyl 3-ethylpyrrolidine-1-carboxylate is CCC1CCN(C(=O)OCNC)C1.
What is the InChIKey of methylaminomethyl 3-ethylpyrrolidine-1-carboxylate?
The InChIKey is IKALJADONBNDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-8-4-5-11(6-8)9(12)13-7-10-2/h8,10H,3-7H2,1-2H3.
What are the key properties of methylaminomethyl 3-ethylpyrrolidine-1-carboxylate?
methylaminomethyl 3-ethylpyrrolidine-1-carboxylate has a molecular weight of 186.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethyl 3-ethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 171073093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).