4-[2-(dimethylamino)ethylamino]-N-methylbutanamide

C9H21N3O — CID 63890540

IUPAC4-[2-(dimethylamino)ethylamino]-N-methylbutanamide
SMILESCNC(=O)CCCNCCN(C)C
InChIInChI=1S/C9H21N3O/c1-10-9(13)5-4-6-11-7-8-12(2)3/h11H,4-8H2,1-3H3,(H,10,13)
InChIKeyZECAJIOVPGXZCJ-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.34
Rot. Bonds7

About 4-[2-(dimethylamino)ethylamino]-N-methylbutanamide

4-[2-(dimethylamino)ethylamino]-N-methylbutanamide (PubChem CID 63890540) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylamino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylamino]-N-methylbutanamide
PubChem CID63890540
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name4-[2-(dimethylamino)ethylamino]-N-methylbutanamide
SMILESCNC(=O)CCCNCCN(C)C
InChIInChI=1S/C9H21N3O/c1-10-9(13)5-4-6-11-7-8-12(2)3/h11H,4-8H2,1-3H3,(H,10,13)
InChIKeyZECAJIOVPGXZCJ-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

3-[3-(dimethylamino)propylamino]-N-methylpropanamide
CID 62325498
6-(dimethylamino)-N-methylhexanamide
CID 58019688
N-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butanamide
CID 63892682
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
6-[5-[bis[3-(methylamino)-3-oxopropyl]amino]pentylamino]-N-methylhexanamide
CID 58105394
(1Z)-5-[3-(dimethylamino)propylamino]-1-hydroxyiminopentan-2-one
CID 51713838
3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
CID 58105683
4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128
N-methyl-4-(prop-2-ynylamino)butanamide
CID 63892463
N-methyl-4-(sulfanylamino)butanamide
CID 59695052
N-[2-[2-(dimethylamino)ethylamino]ethyl]-6-oxooctanamide
CID 138736388
N,N'-dimethylheptanediamide
CID 15166696

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylamino]-N-methylbutanamide?
The IUPAC name of 4-[2-(dimethylamino)ethylamino]-N-methylbutanamide (CID 63890540) is 4-[2-(dimethylamino)ethylamino]-N-methylbutanamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethylamino]-N-methylbutanamide?
The canonical SMILES for 4-[2-(dimethylamino)ethylamino]-N-methylbutanamide is CNC(=O)CCCNCCN(C)C.
What is the InChIKey of 4-[2-(dimethylamino)ethylamino]-N-methylbutanamide?
The InChIKey is ZECAJIOVPGXZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-10-9(13)5-4-6-11-7-8-12(2)3/h11H,4-8H2,1-3H3,(H,10,13).
What are the key properties of 4-[2-(dimethylamino)ethylamino]-N-methylbutanamide?
4-[2-(dimethylamino)ethylamino]-N-methylbutanamide 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 4-[2-(dimethylamino)ethylamino]-N-methylbutanamide is sourced from PubChem (CID 63890540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).