5-[(hexylamino)methyl]pyrrolidin-2-one

C11H22N2O — CID 60727785

IUPAC5-[(hexylamino)methyl]pyrrolidin-2-one
SMILESCCCCCCNCC1CCC(=O)N1
InChIInChI=1S/C11H22N2O/c1-2-3-4-5-8-12-9-10-6-7-11(14)13-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyNPBNLILFEGXMIO-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.43
Rot. Bonds7

About 5-[(hexylamino)methyl]pyrrolidin-2-one

5-[(hexylamino)methyl]pyrrolidin-2-one (PubChem CID 60727785) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 5-[(hexylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(hexylamino)methyl]pyrrolidin-2-one
PubChem CID60727785
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name5-[(hexylamino)methyl]pyrrolidin-2-one
SMILESCCCCCCNCC1CCC(=O)N1
InChIInChI=1S/C11H22N2O/c1-2-3-4-5-8-12-9-10-6-7-11(14)13-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyNPBNLILFEGXMIO-UHFFFAOYSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one
CID 60726501
5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one
CID 107530049
5-[(pent-3-ynylamino)methyl]pyrrolidin-2-one
CID 104807003
(5S)-5-(dodecylsulfanylmethyl)pyrrolidin-2-one
CID 56659135
3-[(5-oxopyrrolidin-2-yl)methylamino]propanenitrile
CID 60727673
5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one
CID 107529437
(5S)-5-[(prop-2-ynylamino)methyl]pyrrolidin-2-one
CID 166066315
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
N-(azepan-2-ylmethyl)octan-1-amine
CID 115568709
1,1-dimethyl-3-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]urea
CID 107529858
2,2-dimethyl-4-[(5-oxopyrrolidin-2-yl)methylamino]butanenitrile
CID 65253327
5-[(2-cyclopropylpropylamino)methyl]pyrrolidin-2-one
CID 107529963

Frequently Asked Questions

What is the IUPAC name of 5-[(hexylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(hexylamino)methyl]pyrrolidin-2-one (CID 60727785) is 5-[(hexylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(hexylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(hexylamino)methyl]pyrrolidin-2-one is CCCCCCNCC1CCC(=O)N1.
What is the InChIKey of 5-[(hexylamino)methyl]pyrrolidin-2-one?
The InChIKey is NPBNLILFEGXMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-3-4-5-8-12-9-10-6-7-11(14)13-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of 5-[(hexylamino)methyl]pyrrolidin-2-one?
5-[(hexylamino)methyl]pyrrolidin-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(hexylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 60727785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).