N'-ethyl-N'-hexylpropanediamide

C11H22N2O2 — CID 174895850

IUPACN'-ethyl-N'-hexylpropanediamide
SMILESCCCCCCN(CC)C(=O)CC(N)=O
InChIInChI=1S/C11H22N2O2/c1-3-5-6-7-8-13(4-2)11(15)9-10(12)14/h3-9H2,1-2H3,(H2,12,14)
InChIKeyCIGXRTXJWAHSFZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.29
Rot. Bonds8

About N'-ethyl-N'-hexylpropanediamide

N'-ethyl-N'-hexylpropanediamide (PubChem CID 174895850) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N'-ethyl-N'-hexylpropanediamide.

Molecular Properties

Compound NameN'-ethyl-N'-hexylpropanediamide
PubChem CID174895850
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN'-ethyl-N'-hexylpropanediamide
SMILESCCCCCCN(CC)C(=O)CC(N)=O
InChIInChI=1S/C11H22N2O2/c1-3-5-6-7-8-13(4-2)11(15)9-10(12)14/h3-9H2,1-2H3,(H2,12,14)
InChIKeyCIGXRTXJWAHSFZ-UHFFFAOYSA-N
XLogP1.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-octylbutanamide
CID 138793187
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
N',N'-dioctylhexanediamide
CID 53437404
N',N'-bis[4-(dimethylamino)butyl]propanediamide
CID 172710521
N'-nonyl-N'-undecylbutanediamide;propane
CID 172578364
1-butyl-1-dodecylurea
CID 168918855
N-(3-aminopropyl)-N-ethyldecanamide
CID 65447961
N-ethyl-N-hexylcarbamate
CID 53442022
N',N'-dioctadecyloxamide
CID 54497742
3-(dipentylamino)-3-oxopropanoic acid
CID 55049301
carbamothioic S-acid;dihexadecylcarbamothioic S-acid
CID 88597147
ethyl N,N-didodecylcarbamate
CID 70629624

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-hexylpropanediamide?
The IUPAC name of N'-ethyl-N'-hexylpropanediamide (CID 174895850) is N'-ethyl-N'-hexylpropanediamide.
What is the SMILES notation for N'-ethyl-N'-hexylpropanediamide?
The canonical SMILES for N'-ethyl-N'-hexylpropanediamide is CCCCCCN(CC)C(=O)CC(N)=O.
What is the InChIKey of N'-ethyl-N'-hexylpropanediamide?
The InChIKey is CIGXRTXJWAHSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-5-6-7-8-13(4-2)11(15)9-10(12)14/h3-9H2,1-2H3,(H2,12,14).
What are the key properties of N'-ethyl-N'-hexylpropanediamide?
N'-ethyl-N'-hexylpropanediamide has a molecular weight of 214.31 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-hexylpropanediamide is sourced from PubChem (CID 174895850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).