2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide

C11H25N3O — CID 61453098

IUPAC2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)CCCCN
InChIInChI=1S/C11H25N3O/c1-4-14(5-2)11(15)10-13(3)9-7-6-8-12/h4-10,12H2,1-3H3
InChIKeyPSBQGJULOASTHR-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.53
Rot. Bonds8

About 2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide

2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide (PubChem CID 61453098) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide
PubChem CID61453098
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)CCCCN
InChIInChI=1S/C11H25N3O/c1-4-14(5-2)11(15)10-13(3)9-7-6-8-12/h4-10,12H2,1-3H3
InChIKeyPSBQGJULOASTHR-UHFFFAOYSA-N
XLogP0.53
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[hexyl(methyl)amino]acetamide
CID 86911436
2-[(5-amino-5-sulfanylidenepentyl)-methylamino]-N,N-diethylacetamide
CID 54966442
N,N-diethyl-2-[methyl(propyl)amino]acetamide
CID 135175911
2-[4-aminobutyl(methyl)amino]acetic acid
CID 144844838
2-[4-aminobutyl(methyl)amino]acetic acid;azane
CID 172717710
1-[5-aminopentyl(methyl)amino]propan-2-one
CID 58052223
N-(2-aminoethyl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 54946952
2-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-N,N-diethylacetamide
CID 61456794
2-[4-aminobutyl(methyl)amino]-N-methylacetamide
CID 43374665
6-amino-N-ethyl-N-(2-hydroxyethyl)hexanamide
CID 60944687
2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide
CID 81494005
N,N-diethyl-2-[methyl-(4-oxo-4-phenylbutyl)amino]acetamide
CID 60695015

Frequently Asked Questions

What is the IUPAC name of 2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide (CID 61453098) is 2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)CCCCN.
What is the InChIKey of 2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide?
The InChIKey is PSBQGJULOASTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-14(5-2)11(15)10-13(3)9-7-6-8-12/h4-10,12H2,1-3H3.
What are the key properties of 2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide?
2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide has a molecular weight of 215.34 g/mol, XLogP of 0.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 61453098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).