3-[3-(dimethylamino)propylamino]-N-methylpropanamide

C9H21N3O — CID 62325498

IUPAC3-[3-(dimethylamino)propylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCCCN(C)C
InChIInChI=1S/C9H21N3O/c1-10-9(13)5-7-11-6-4-8-12(2)3/h11H,4-8H2,1-3H3,(H,10,13)
InChIKeyBKYOISHMSZBXMP-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.34
Rot. Bonds7

About 3-[3-(dimethylamino)propylamino]-N-methylpropanamide

3-[3-(dimethylamino)propylamino]-N-methylpropanamide (PubChem CID 62325498) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylamino]-N-methylpropanamide
PubChem CID62325498
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name3-[3-(dimethylamino)propylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCCCN(C)C
InChIInChI=1S/C9H21N3O/c1-10-9(13)5-7-11-6-4-8-12(2)3/h11H,4-8H2,1-3H3,(H,10,13)
InChIKeyBKYOISHMSZBXMP-UHFFFAOYSA-N
XLogP-0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylamino)ethylamino]-N-methylbutanamide
CID 63890540
6-(dimethylamino)-N-methylhexanamide
CID 58019688
3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
CID 58105683
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
(1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one
CID 51713838
3-(2-fluoroethylamino)-N-methylpropanamide
CID 80695832
N-(4-acetylphenyl)-3-[3-(dimethylamino)propylamino]propanamide
CID 109017139
3-(6-methoxyhexylamino)-N-methylpropanamide
CID 143379158
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466
6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide
CID 58105394
N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide
CID 62836694
3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
CID 143379058

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylamino]-N-methylpropanamide?
The IUPAC name of 3-[3-(dimethylamino)propylamino]-N-methylpropanamide (CID 62325498) is 3-[3-(dimethylamino)propylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[3-(dimethylamino)propylamino]-N-methylpropanamide?
The canonical SMILES for 3-[3-(dimethylamino)propylamino]-N-methylpropanamide is CNC(=O)CCNCCCN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propylamino]-N-methylpropanamide?
The InChIKey is BKYOISHMSZBXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-10-9(13)5-7-11-6-4-8-12(2)3/h11H,4-8H2,1-3H3,(H,10,13).
What are the key properties of 3-[3-(dimethylamino)propylamino]-N-methylpropanamide?
3-[3-(dimethylamino)propylamino]-N-methylpropanamide has a molecular weight of 187.29 g/mol, XLogP of -0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylamino]-N-methylpropanamide is sourced from PubChem (CID 62325498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).