N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide

C9H21N3O — CID 60841312

IUPACN-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCN(C)C
InChIInChI=1S/C9H21N3O/c1-10-6-4-5-9(13)11-7-8-12(2)3/h10H,4-8H2,1-3H3,(H,11,13)
InChIKeyGAHNEPIATHTBRH-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.34
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide

N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide (PubChem CID 60841312) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
PubChem CID60841312
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCN(C)C
InChIInChI=1S/C9H21N3O/c1-10-6-4-5-9(13)11-7-8-12(2)3/h10H,4-8H2,1-3H3,(H,11,13)
InChIKeyGAHNEPIATHTBRH-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

N-[2-[ethyl(methyl)amino]ethyl]-4-(methylamino)butanamide
CID 62641683
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid
CID 51038800
3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 167166577
N-[2-(dimethylamino)ethyl]pent-4-enamide
CID 158602518
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide
CID 119896354
(E)-N-[2-(dimethylamino)ethyl]non-4-enamide
CID 102117820
N-[2-(dimethylamino)ethyl]-3-[[4-(methylamino)butanoylamino]methyl]benzamide;dihydrochloride
CID 119867704
4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide
CID 23187599
N-(2-methoxyethyl)-4-(methylamino)butanamide
CID 60841118
4-[2-(dimethylamino)ethylamino]-N-methylbutanamide
CID 63890540
N-(3,3-dimethylbutyl)-4-(methylamino)butanamide
CID 115738133

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide (CID 60841312) is N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide is CNCCCC(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide?
The InChIKey is GAHNEPIATHTBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-10-6-4-5-9(13)11-7-8-12(2)3/h10H,4-8H2,1-3H3,(H,11,13).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide?
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide 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 N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide is sourced from PubChem (CID 60841312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).