tert-butyl 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pyrrolidine-1-carboxylate

C17H33N3O2 — CID 106637822

IUPACtert-butyl 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pyrrolidine-1-carboxylate
SMILESCCN1CCC(CNCC2CCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H33N3O2/c1-5-19-10-8-14(13-19)11-18-12-15-7-6-9-20(15)16(21)22-17(2,3)4/h14-15,18H,5-13H2,1-4H3
InChIKeyGDIZWUOLMYHNCO-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.32
Rot. Bonds5

About tert-butyl 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pyrrolidine-1-carboxylate

tert-butyl 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pyrrolidine-1-carboxylate (PubChem CID 106637822) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pyrrolidine-1-carboxylate
PubChem CID106637822
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Nametert-butyl 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pyrrolidine-1-carboxylate
SMILESCCN1CCC(CNCC2CCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H33N3O2/c1-5-19-10-8-14(13-19)11-18-12-15-7-6-9-20(15)16(21)22-17(2,3)4/h14-15,18H,5-13H2,1-4H3
InChIKeyGDIZWUOLMYHNCO-UHFFFAOYSA-N
XLogP2.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(piperidin-4-ylmethylamino)methyl]piperidine-1-carboxylate
CID 107246835
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl 2-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 106638538
tert-butyl 2-[[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]methyl]pyrrolidine-1-carboxylate
CID 107755504
tert-butyl 2-[[2-(diethylamino)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 106636392
tert-butyl 2-[(2-ethoxyethylamino)methyl]pyrrolidine-1-carboxylate
CID 106636992
tert-butyl 2-[(2-hydroxypropylamino)methyl]pyrrolidine-1-carboxylate
CID 106636931
tert-butyl 2-[(prop-2-enylamino)methyl]pyrrolidine-1-carboxylate
CID 106636188
tert-butyl 2-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 106638099
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
tert-butyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106639392
tert-butyl 2-[[(3-amino-2,2-dimethyl-3-oxopropyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106275152

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pyrrolidine-1-carboxylate (CID 106637822) is tert-butyl 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pyrrolidine-1-carboxylate is CCN1CCC(CNCC2CCCN2C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is GDIZWUOLMYHNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-5-19-10-8-14(13-19)11-18-12-15-7-6-9-20(15)16(21)22-17(2,3)4/h14-15,18H,5-13H2,1-4H3.
What are the key properties of tert-butyl 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 311.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 106637822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).