N-(2-aminoethyl)-4,5-dihydroxy-6-oxohexanamide;N'-methylethane-1,2-diamine

C11H26N4O4 — CID 156750412

IUPACN-(2-aminoethyl)-4,5-dihydroxy-6-oxohexanamide;N'-methylethane-1,2-diamine
SMILESCNCCN.NCCNC(=O)CCC(O)C(O)C=O
InChIInChI=1S/C8H16N2O4.C3H10N2/c9-3-4-10-8(14)2-1-6(12)7(13)5-11;1-5-3-2-4/h5-7,12-13H,1-4,9H2,(H,10,14);5H,2-4H2,1H3
InChIKeyAHOPUXZRTGLXSI-UHFFFAOYSA-N
MW278.35 g/mol
LogP-3.07
Rot. Bonds9

About N-(2-aminoethyl)-4,5-dihydroxy-6-oxohexanamide;N'-methylethane-1,2-diamine

N-(2-aminoethyl)-4,5-dihydroxy-6-oxohexanamide;N'-methylethane-1,2-diamine (PubChem CID 156750412) has the molecular formula C11H26N4O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-4,5-dihydroxy-6-oxohexanamide;N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-aminoethyl)-4,5-dihydroxy-6-oxohexanamide;N'-methylethane-1,2-diamine
PubChem CID156750412
Molecular FormulaC11H26N4O4
Molecular Weight278.35 g/mol
Exact Mass278.20
IUPAC NameN-(2-aminoethyl)-4,5-dihydroxy-6-oxohexanamide;N'-methylethane-1,2-diamine
SMILESCNCCN.NCCNC(=O)CCC(O)C(O)C=O
InChIInChI=1S/C8H16N2O4.C3H10N2/c9-3-4-10-8(14)2-1-6(12)7(13)5-11;1-5-3-2-4/h5-7,12-13H,1-4,9H2,(H,10,14);5H,2-4H2,1H3
InChIKeyAHOPUXZRTGLXSI-UHFFFAOYSA-N
XLogP-3.07
TPSA150.70 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.35
LogP ≤ 5-3.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-7-methyloctanamide
CID 145373236
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CID 144623908
3-amino-N-[(3S)-3-hydroxybutyl]propanamide
CID 86323935
N-(4-aminobutyl)-4-hydroxypentanamide
CID 79203295
N-(2-aminoethyl)-3-[2-[2-[2-(methylamino)ethylamino]ethoxy]ethoxy]propanamide
CID 144897586
N-(2-aminoethyl)butanamide;ethane
CID 143117924
N-(2-aminoethyl)nonanamide
CID 13028008
N,N'-bis(2-aminoethyl)-7,8-didecyltetradecanediamide
CID 89347828
N,N'-bis(2-aminoethyl)-10,11-dioctylicosanediamide
CID 58975602
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-(6-amino-4-methyl-3-oxohexyl)amino]propanamide
CID 90809348
5-amino-N-(3-aminopropyl)hexanamide
CID 82851276
acetic acid;N-(2-aminoethyl)octanamide
CID 161257212

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4,5-dihydroxy-6-oxohexanamide;N'-methylethane-1,2-diamine?
The IUPAC name of N-(2-aminoethyl)-4,5-dihydroxy-6-oxohexanamide;N'-methylethane-1,2-diamine (CID 156750412) is N-(2-aminoethyl)-4,5-dihydroxy-6-oxohexanamide;N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-aminoethyl)-4,5-dihydroxy-6-oxohexanamide;N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2-aminoethyl)-4,5-dihydroxy-6-oxohexanamide;N'-methylethane-1,2-diamine is CNCCN.NCCNC(=O)CCC(O)C(O)C=O.
What is the InChIKey of N-(2-aminoethyl)-4,5-dihydroxy-6-oxohexanamide;N'-methylethane-1,2-diamine?
The InChIKey is AHOPUXZRTGLXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4.C3H10N2/c9-3-4-10-8(14)2-1-6(12)7(13)5-11;1-5-3-2-4/h5-7,12-13H,1-4,9H2,(H,10,14);5H,2-4H2,1H3.
What are the key properties of N-(2-aminoethyl)-4,5-dihydroxy-6-oxohexanamide;N'-methylethane-1,2-diamine?
N-(2-aminoethyl)-4,5-dihydroxy-6-oxohexanamide;N'-methylethane-1,2-diamine has a molecular weight of 278.35 g/mol, XLogP of -3.07, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4,5-dihydroxy-6-oxohexanamide;N'-methylethane-1,2-diamine is sourced from PubChem (CID 156750412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).