3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one

C13H26N2O — CID 43203515

IUPAC3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCCCC(C)CNCCC(=O)N1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-6-12(2)11-14-8-7-13(16)15-9-4-5-10-15/h12,14H,3-11H2,1-2H3
InChIKeyBSXDXRVATOSTGA-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds7

About 3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one

3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43203515) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43203515
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCCCC(C)CNCCC(=O)N1CCCC1
InChIInChI=1S/C13H26N2O/c1-3-6-12(2)11-14-8-7-13(16)15-9-4-5-10-15/h12,14H,3-11H2,1-2H3
InChIKeyBSXDXRVATOSTGA-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one
CID 112554126
5-methyl-1-pyrrolidin-1-yloctan-1-one
CID 168981968
1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440
3-(2-methylpentylamino)-N-propan-2-ylpropanamide
CID 115904706
3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683120
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 113263956
1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone
CID 62691599
N,N-dimethyl-3-(2-methylpentylamino)propanamide
CID 60926846
1-(4-ethylpiperazin-1-yl)-3-(2-methylpropylamino)propan-1-one
CID 109012745
3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 115647680
9-methyl-1-pyrrolidin-1-yltetradecan-1-one
CID 91705079
3-(heptan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112700170

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 43203515) is 3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one is CCCC(C)CNCCC(=O)N1CCCC1.
What is the InChIKey of 3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BSXDXRVATOSTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-6-12(2)11-14-8-7-13(16)15-9-4-5-10-15/h12,14H,3-11H2,1-2H3.
What are the key properties of 3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one?
3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43203515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).