2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one

C13H26N2O3 — CID 107703595

IUPAC2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one
SMILESCC(NCCCCCCO)C(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-12(14-6-4-2-3-5-9-16)13(17)15-7-10-18-11-8-15/h12,14,16H,2-11H2,1H3
InChIKeyCUUHVEQCZMWVIN-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.38
Rot. Bonds8

About 2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one

2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one (PubChem CID 107703595) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one
PubChem CID107703595
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one
SMILESCC(NCCCCCCO)C(=O)N1CCOCC1
InChIInChI=1S/C13H26N2O3/c1-12(14-6-4-2-3-5-9-16)13(17)15-7-10-18-11-8-15/h12,14,16H,2-11H2,1H3
InChIKeyCUUHVEQCZMWVIN-UHFFFAOYSA-N
XLogP0.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-hydroxypentylamino)-1-piperidin-1-ylpropan-1-one
CID 113408435
2-(3-methylsulfonylpropylamino)-1-morpholin-4-ylpropan-1-one
CID 54905141
2-[3-(2-methylpropoxy)propylamino]-1-morpholin-4-ylpropan-1-one
CID 103605790
2-[2-(tert-butylamino)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 107446064
(2R)-2-[(4-morpholin-4-yl-4-oxobutyl)amino]propanoic acid
CID 83194331
1-morpholin-4-yl-2-(2-thiomorpholin-4-ylethylamino)propan-1-one
CID 106325630
N,N-diethyl-3-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanamide
CID 115588983
2-hydroxy-2-methyl-3-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid
CID 104645019
2-(2-morpholin-4-ylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083600
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115569816
2-[(1-methylsulfanylcyclopropyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 107266231
2-(2-methylpentylamino)-1-morpholin-4-ylpropan-1-one
CID 113352721

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one (CID 107703595) is 2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one is CC(NCCCCCCO)C(=O)N1CCOCC1.
What is the InChIKey of 2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one?
The InChIKey is CUUHVEQCZMWVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(14-6-4-2-3-5-9-16)13(17)15-7-10-18-11-8-15/h12,14,16H,2-11H2,1H3.
What are the key properties of 2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one?
2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one has a molecular weight of 258.36 g/mol, XLogP of 0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexylamino)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 107703595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).