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

C11H25N3O — CID 61453369

IUPAC2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C(C)CCN
InChIInChI=1S/C11H25N3O/c1-5-14(6-2)11(15)9-13(4)10(3)7-8-12/h10H,5-9,12H2,1-4H3
InChIKeyVUGMEAJIVHQABM-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.52
Rot. Bonds7

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

2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide (PubChem CID 61453369) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide
PubChem CID61453369
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C(C)CCN
InChIInChI=1S/C11H25N3O/c1-5-14(6-2)11(15)9-13(4)10(3)7-8-12/h10H,5-9,12H2,1-4H3
InChIKeyVUGMEAJIVHQABM-UHFFFAOYSA-N
XLogP0.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-methylbutanoate
CID 79406836
N,N-diethyl-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62332611
2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide
CID 61453098
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide
CID 86911516
N,N-diethyl-2-[1-(2-hydroxyphenyl)ethyl-methylamino]acetamide
CID 82723076
N-(4-aminobutan-2-yl)-N-methylheptanamide
CID 114751924
3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine
CID 63223604
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid
CID 62215247
N-(4-aminobutan-2-yl)-N,4-dimethylpentanamide
CID 63225605
2-[1-hydroxypropan-2-yl(methyl)amino]-N,N-dipropylacetamide
CID 115772259
2-(diethylamino)-N,N-diethylacetamide
CID 13352066
N-(2-aminoethyl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 54946952

Frequently Asked Questions

What is the IUPAC name of 2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide (CID 61453369) is 2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)C(C)CCN.
What is the InChIKey of 2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide?
The InChIKey is VUGMEAJIVHQABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-5-14(6-2)11(15)9-13(4)10(3)7-8-12/h10H,5-9,12H2,1-4H3.
What are the key properties of 2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide?
2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide has a molecular weight of 215.34 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-aminobutan-2-yl(methyl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 61453369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).