N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine

C13H28N2O — CID 64569701

IUPACN-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
SMILESCCCC(CN1CCC(COC)C1)NCC
InChIInChI=1S/C13H28N2O/c1-4-6-13(14-5-2)10-15-8-7-12(9-15)11-16-3/h12-14H,4-11H2,1-3H3
InChIKeyLBLUFRWXKKLQDU-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds8

About N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine

N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine (PubChem CID 64569701) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
PubChem CID64569701
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
SMILESCCCC(CN1CCC(COC)C1)NCC
InChIInChI=1S/C13H28N2O/c1-4-6-13(14-5-2)10-15-8-7-12(9-15)11-16-3/h12-14H,4-11H2,1-3H3
InChIKeyLBLUFRWXKKLQDU-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine
CID 64569510
1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine
CID 106586522
N-ethyl-1-(3-methylpyrrolidin-1-yl)pentan-2-amine
CID 62044690
N,N-diethyl-1-[2-(ethylamino)pentyl]pyrrolidin-3-amine
CID 55160900
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
N-[1-cyclopentyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]propan-1-amine
CID 104746508
N-ethyl-1-(3-methylpiperidin-1-yl)pentan-2-amine
CID 62041614
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
CID 64583946
N-ethyl-1-(3-ethylpiperidin-1-yl)-3-methoxypropan-2-amine
CID 107505415
1-cyclohexyl-N-ethyl-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 104746414
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine
CID 64569899
N-ethyl-1-methoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-amine
CID 107505935

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine?
The IUPAC name of N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine (CID 64569701) is N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine.
What is the SMILES notation for N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine?
The canonical SMILES for N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine is CCCC(CN1CCC(COC)C1)NCC.
What is the InChIKey of N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine?
The InChIKey is LBLUFRWXKKLQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-6-13(14-5-2)10-15-8-7-12(9-15)11-16-3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine?
N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine is sourced from PubChem (CID 64569701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).