3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one

C11H22N2O2 — CID 103532931

IUPAC3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
SMILESCCCC(N)CC(=O)N1CCC(OC)C1
InChIInChI=1S/C11H22N2O2/c1-3-4-9(12)7-11(14)13-6-5-10(8-13)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyUVESUECFBJICCI-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds5

About 3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one

3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one (PubChem CID 103532931) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
PubChem CID103532931
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
SMILESCCCC(N)CC(=O)N1CCC(OC)C1
InChIInChI=1S/C11H22N2O2/c1-3-4-9(12)7-11(14)13-6-5-10(8-13)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyUVESUECFBJICCI-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-2-pyrrolidin-2-ylacetamide
CID 119768425
N-[1-(3-methoxypyrrolidin-3-yl)ethyl]hexanamide
CID 21041196
6-Amino-2-methoxy-1-(2-methylpyrrolidin-1-yl)hexan-1-one
CID 58862211
6-amino-1-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]hexan-1-one
CID 59347241
(4S)-4-amino-1-(2-methoxyethyl)azepan-2-one
CID 69986766
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)hexane-1,2-dione
CID 89562680
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)hexane-1,2-dione
CID 89562915
6-amino-1-[(2R,4R)-2-(deuteriomethyl)-4-hydroxypyrrolidin-1-yl]hexan-1-one
CID 89747698
6-amino-1-[(2R,4R)-4-hydroxy-2-(tritiomethyl)pyrrolidin-1-yl]hexan-1-one
CID 90320857
2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-methylacetamide
CID 139932190
N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]-2-(1-tridecanoylpyrrolidin-2-yl)acetamide
CID 139965434
3-Amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]hexane-1,2-dione
CID 143418597

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one?
The IUPAC name of 3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one (CID 103532931) is 3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one.
What is the SMILES notation for 3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one?
The canonical SMILES for 3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one is CCCC(N)CC(=O)N1CCC(OC)C1.
What is the InChIKey of 3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one?
The InChIKey is UVESUECFBJICCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-4-9(12)7-11(14)13-6-5-10(8-13)15-2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one?
3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one is sourced from PubChem (CID 103532931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).