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

C11H22N2O2 — CID 103532834

IUPAC6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
SMILESCOC1CCN(C(=O)CCCCCN)C1
InChIInChI=1S/C11H22N2O2/c1-15-10-6-8-13(9-10)11(14)5-3-2-4-7-12/h10H,2-9,12H2,1H3
InChIKeyUETJCDHFALJOJA-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds6

About 6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one

6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one (PubChem CID 103532834) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
PubChem CID103532834
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
SMILESCOC1CCN(C(=O)CCCCCN)C1
InChIInChI=1S/C11H22N2O2/c1-15-10-6-8-13(9-10)11(14)5-3-2-4-7-12/h10H,2-9,12H2,1H3
InChIKeyUETJCDHFALJOJA-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 19039692
1-(3-methoxypyrrolidin-1-yl)pentane-1,4-dione
CID 103533267
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445
7-amino-1-(3-ethoxypiperidin-1-yl)heptan-1-one
CID 54990000
4-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 103540685
6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one
CID 55157992
6-amino-1-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43133252
6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one
CID 178062004
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964
2-chloro-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564435
5-bromo-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 107908012
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43590415

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one?
The IUPAC name of 6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one (CID 103532834) is 6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one?
The canonical SMILES for 6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one is COC1CCN(C(=O)CCCCCN)C1.
What is the InChIKey of 6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one?
The InChIKey is UETJCDHFALJOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-15-10-6-8-13(9-10)11(14)5-3-2-4-7-12/h10H,2-9,12H2,1H3.
What are the key properties of 6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one?
6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one is sourced from PubChem (CID 103532834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).