6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one

C11H22N2O2 — CID 53399018

IUPAC6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
SMILESNCCCCCC(=O)N1CCCC1CO
InChIInChI=1S/C11H22N2O2/c12-7-3-1-2-6-11(15)13-8-4-5-10(13)9-14/h10,14H,1-9,12H2
InChIKeySXOAEWUKQBSCPB-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.49
Rot. Bonds6

About 6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one

6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one (PubChem CID 53399018) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
PubChem CID53399018
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one
SMILESNCCCCCC(=O)N1CCCC1CO
InChIInChI=1S/C11H22N2O2/c12-7-3-1-2-6-11(15)13-8-4-5-10(13)9-14/h10,14H,1-9,12H2
InChIKeySXOAEWUKQBSCPB-UHFFFAOYSA-N
XLogP0.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.49
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

6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43579311
4-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 79191916
7-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]heptan-1-one
CID 62889816
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540
5-hydroxy-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one
CID 79199717
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-sulfanylbutan-1-one
CID 146330782
4-chloro-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 107216553
7-amino-1-(2-benzylpyrrolidin-1-yl)heptan-1-one
CID 60940295
N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944857
5-bromo-1-[2-(hydroxymethyl)piperidin-1-yl]pentan-1-one
CID 107908372
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695
1-[2-(2-aminoethyl)pyrrolidin-1-yl]heptan-1-one
CID 90749675

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one?
The IUPAC name of 6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one (CID 53399018) is 6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one.
What is the SMILES notation for 6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one?
The canonical SMILES for 6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one is NCCCCCC(=O)N1CCCC1CO.
What is the InChIKey of 6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one?
The InChIKey is SXOAEWUKQBSCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c12-7-3-1-2-6-11(15)13-8-4-5-10(13)9-14/h10,14H,1-9,12H2.
What are the key properties of 6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one?
6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]hexan-1-one is sourced from PubChem (CID 53399018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).