3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one

C11H22N2O2 — CID 107851756

IUPAC3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one
SMILESCN1CCC(NCCCCCCO)C1=O
InChIInChI=1S/C11H22N2O2/c1-13-8-6-10(11(13)15)12-7-4-2-3-5-9-14/h10,12,14H,2-9H2,1H3
InChIKeyCOAZNDQLJBIALZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.36
Rot. Bonds7

About 3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one

3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one (PubChem CID 107851756) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one
PubChem CID107851756
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one
SMILESCN1CCC(NCCCCCCO)C1=O
InChIInChI=1S/C11H22N2O2/c1-13-8-6-10(11(13)15)12-7-4-2-3-5-9-14/h10,12,14H,2-9H2,1H3
InChIKeyCOAZNDQLJBIALZ-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide
CID 106237309
3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrrolidin-2-one
CID 106310259
1-methyl-3-(3-propoxypropylamino)pyrrolidin-2-one
CID 82944318
5-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)pentanamide
CID 106259293
3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione
CID 107703458
3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one
CID 106246688
5-(5-hydroxypentylamino)-1-methylpiperidin-2-one
CID 64656153
3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one
CID 106133454
1-methyl-3-(2-methylidenebutylamino)pyrrolidin-2-one
CID 106256749
6-[(1-methylpiperidin-4-yl)amino]hexan-1-ol
CID 115906765
6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106258009
(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
CID 94236128

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one (CID 107851756) is 3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one is CN1CCC(NCCCCCCO)C1=O.
What is the InChIKey of 3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one?
The InChIKey is COAZNDQLJBIALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13-8-6-10(11(13)15)12-7-4-2-3-5-9-14/h10,12,14H,2-9H2,1H3.
What are the key properties of 3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one?
3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxyhexylamino)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 107851756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).