2-[3-(aminomethyl)pentan-3-yloxy]-1-pyrrolidin-1-ylethanone

C12H24N2O2 — CID 65050963

IUPAC2-[3-(aminomethyl)pentan-3-yloxy]-1-pyrrolidin-1-ylethanone
SMILESCCC(CC)(CN)OCC(=O)N1CCCC1
InChIInChI=1S/C12H24N2O2/c1-3-12(4-2,10-13)16-9-11(15)14-7-5-6-8-14/h3-10,13H2,1-2H3
InChIKeyWGEAKPCGIXFARD-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.14
Rot. Bonds6

About 2-[3-(aminomethyl)pentan-3-yloxy]-1-pyrrolidin-1-ylethanone

2-[3-(aminomethyl)pentan-3-yloxy]-1-pyrrolidin-1-ylethanone (PubChem CID 65050963) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pentan-3-yloxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(aminomethyl)pentan-3-yloxy]-1-pyrrolidin-1-ylethanone
PubChem CID65050963
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[3-(aminomethyl)pentan-3-yloxy]-1-pyrrolidin-1-ylethanone
SMILESCCC(CC)(CN)OCC(=O)N1CCCC1
InChIInChI=1S/C12H24N2O2/c1-3-12(4-2,10-13)16-9-11(15)14-7-5-6-8-14/h3-10,13H2,1-2H3
InChIKeyWGEAKPCGIXFARD-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-amino-2-methylbutan-2-yl)oxy-1-piperidin-1-ylethanone
CID 65053458
2-(1-amino-2-methylbutan-2-yl)oxy-1-(azepan-1-yl)ethanone
CID 65053017
2-(1-amino-2-methylpropan-2-yl)oxy-1-pyrrolidin-1-ylethanone
CID 65053500
(2-oxo-2-piperidin-1-ylethyl) propanoate
CID 57259337
(2-oxo-2-piperidin-1-ylethyl) carbamate
CID 175217966
1-[2-[(2-methylpropan-2-yl)oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155051717
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
(2-oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybutanoate
CID 78876077
N-[3-(aminomethyl)pentan-3-yl]-N-methylpiperidine-1-carboxamide
CID 79155532
1-(azepan-1-yl)propan-1-one
CID 3613534
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112605170

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pentan-3-yloxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-(aminomethyl)pentan-3-yloxy]-1-pyrrolidin-1-ylethanone (CID 65050963) is 2-[3-(aminomethyl)pentan-3-yloxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-(aminomethyl)pentan-3-yloxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-(aminomethyl)pentan-3-yloxy]-1-pyrrolidin-1-ylethanone is CCC(CC)(CN)OCC(=O)N1CCCC1.
What is the InChIKey of 2-[3-(aminomethyl)pentan-3-yloxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is WGEAKPCGIXFARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-12(4-2,10-13)16-9-11(15)14-7-5-6-8-14/h3-10,13H2,1-2H3.
What are the key properties of 2-[3-(aminomethyl)pentan-3-yloxy]-1-pyrrolidin-1-ylethanone?
2-[3-(aminomethyl)pentan-3-yloxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 228.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pentan-3-yloxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 65050963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).