N-ethyl-N'-(ethylaminomethyl)propanediamide

C8H17N3O2 — CID 20685111

IUPACN-ethyl-N'-(ethylaminomethyl)propanediamide
SMILESCCNCNC(=O)CC(=O)NCC
InChIInChI=1S/C8H17N3O2/c1-3-9-6-11-8(13)5-7(12)10-4-2/h9H,3-6H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyABQRTCDWGBDVAF-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.80
Rot. Bonds6

About N-ethyl-N'-(ethylaminomethyl)propanediamide

N-ethyl-N'-(ethylaminomethyl)propanediamide (PubChem CID 20685111) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-ethyl-N'-(ethylaminomethyl)propanediamide.

Molecular Properties

Compound NameN-ethyl-N'-(ethylaminomethyl)propanediamide
PubChem CID20685111
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN-ethyl-N'-(ethylaminomethyl)propanediamide
SMILESCCNCNC(=O)CC(=O)NCC
InChIInChI=1S/C8H17N3O2/c1-3-9-6-11-8(13)5-7(12)10-4-2/h9H,3-6H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyABQRTCDWGBDVAF-UHFFFAOYSA-N
XLogP-0.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-(ethylaminomethyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-diethylpropanediamide
CID 4600245
N'-ethyl-N-methylpropanediamide;methane
CID 158978281
N-ethyl-2-(methylamino)acetamide;hydrochloride
CID 18526161
CID 59970835
CID 59970835
CID 175477494
CID 175477494
[2-(ethylamino)-2-oxoethyl]azanium
CID 7128769
acetylene;N-ethylpropanamide
CID 143477358
N-ethyl-3-oxohexanamide
CID 88638325
N'-ethyl-N-methylmethanediamine
CID 21026729
N-ethyl-2-(pentylamino)acetamide
CID 28569032
tert-butyl N-(ethylaminomethyl)carbamate
CID 141447583
N-ethyl-2-formamidoacetamide
CID 14481878

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(ethylaminomethyl)propanediamide?
The IUPAC name of N-ethyl-N'-(ethylaminomethyl)propanediamide (CID 20685111) is N-ethyl-N'-(ethylaminomethyl)propanediamide.
What is the SMILES notation for N-ethyl-N'-(ethylaminomethyl)propanediamide?
The canonical SMILES for N-ethyl-N'-(ethylaminomethyl)propanediamide is CCNCNC(=O)CC(=O)NCC.
What is the InChIKey of N-ethyl-N'-(ethylaminomethyl)propanediamide?
The InChIKey is ABQRTCDWGBDVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-3-9-6-11-8(13)5-7(12)10-4-2/h9H,3-6H2,1-2H3,(H,10,12)(H,11,13).
What are the key properties of N-ethyl-N'-(ethylaminomethyl)propanediamide?
N-ethyl-N'-(ethylaminomethyl)propanediamide has a molecular weight of 187.24 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(ethylaminomethyl)propanediamide is sourced from PubChem (CID 20685111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).