2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone

C13H27N3O2 — CID 103391776

IUPAC2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCOCC(CCCN)N(C)CC(=O)N1CCCC1
InChIInChI=1S/C13H27N3O2/c1-15(12(11-18-2)6-5-7-14)10-13(17)16-8-3-4-9-16/h12H,3-11,14H2,1-2H3
InChIKeyQSZNTRCWLHXPHI-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.29
Rot. Bonds8

About 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone

2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 103391776) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID103391776
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone
SMILESCOCC(CCCN)N(C)CC(=O)N1CCCC1
InChIInChI=1S/C13H27N3O2/c1-15(12(11-18-2)6-5-7-14)10-13(17)16-8-3-4-9-16/h12H,3-11,14H2,1-2H3
InChIKeyQSZNTRCWLHXPHI-UHFFFAOYSA-N
XLogP0.29
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide
CID 103391695
2-[1-aminopentan-3-yl(methyl)amino]-1-pyrrolidin-1-ylethanone
CID 61438684
5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one
CID 104684531
3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 81086138
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
3-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propane-1-sulfonamide
CID 61442057
2-[3-aminopropyl(propan-2-yl)amino]-1-(azepan-1-yl)ethanone
CID 43137448
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 61457074
2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 43137313
5-methoxy-4-piperidin-1-ylpentan-1-amine
CID 103391620
2-(2-methoxyethoxy)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113220101
1-(azetidin-1-yl)-2-[methoxy(methyl)amino]ethanone
CID 131224479

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone (CID 103391776) is 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone is COCC(CCCN)N(C)CC(=O)N1CCCC1.
What is the InChIKey of 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is QSZNTRCWLHXPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-15(12(11-18-2)6-5-7-14)10-13(17)16-8-3-4-9-16/h12H,3-11,14H2,1-2H3.
What are the key properties of 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone?
2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 257.38 g/mol, XLogP of 0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 103391776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).