N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen

C9H20N2O3 — CID 155596032

IUPACN'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen
SMILESCNC(=O)CCCCC(=O)NCCO.[H][H]
InChIInChI=1S/C9H18N2O3.H2/c1-10-8(13)4-2-3-5-9(14)11-6-7-12;/h12H,2-7H2,1H3,(H,10,13)(H,11,14);1H
InChIKeyKVOAYNHUXYHXMX-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.35
Rot. Bonds7

About N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen

N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen (PubChem CID 155596032) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen.

Molecular Properties

Compound NameN'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen
PubChem CID155596032
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC NameN'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen
SMILESCNC(=O)CCCCC(=O)NCCO.[H][H]
InChIInChI=1S/C9H18N2O3.H2/c1-10-8(13)4-2-3-5-9(14)11-6-7-12;/h12H,2-7H2,1H3,(H,10,13)(H,11,14);1H
InChIKeyKVOAYNHUXYHXMX-UHFFFAOYSA-N
XLogP-0.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 79209725
9-(2-hydroxyethylamino)-9-oxononanoic acid
CID 57483082
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N,N'-dimethylheptanediamide
CID 15166696
N-methyl-4-(methylamino)butanamide;molecular hydrogen
CID 176574478
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
dysprosium;N-(2-hydroxyethyl)-N'-sulfidododecanediamide
CID 155596071
4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide
CID 63308286
N-(2-hydroxyethyl)hexadecanamide;phosphoric acid
CID 172708754
2-(methylamino)ethanol;N-methyl-6-oxohexanamide
CID 155596118
6-amino-N-[6-(methylamino)-6-oxohexyl]hexanamide;methanamine
CID 169247906

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen?
The IUPAC name of N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen (CID 155596032) is N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen.
What is the SMILES notation for N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen?
The canonical SMILES for N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen is CNC(=O)CCCCC(=O)NCCO.[H][H].
What is the InChIKey of N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen?
The InChIKey is KVOAYNHUXYHXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3.H2/c1-10-8(13)4-2-3-5-9(14)11-6-7-12;/h12H,2-7H2,1H3,(H,10,13)(H,11,14);1H.
What are the key properties of N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen?
N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen has a molecular weight of 204.27 g/mol, XLogP of -0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen is sourced from PubChem (CID 155596032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).