4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide

C14H31N3O — CID 66432910

IUPAC4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CC(CN)N(C)CC(C)(C)C
InChIInChI=1S/C14H31N3O/c1-7-17(8-2)13(18)9-12(10-15)16(6)11-14(3,4)5/h12H,7-11,15H2,1-6H3
InChIKeyMKUPACRVCYUJJN-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.55
Rot. Bonds7

About 4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide

4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide (PubChem CID 66432910) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide
PubChem CID66432910
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CC(CN)N(C)CC(C)(C)C
InChIInChI=1S/C14H31N3O/c1-7-17(8-2)13(18)9-12(10-15)16(6)11-14(3,4)5/h12H,7-11,15H2,1-6H3
InChIKeyMKUPACRVCYUJJN-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylbutanamide
CID 66432485
4-amino-3-[2,2-dimethylpropyl(methyl)amino]butanamide
CID 66429453
4-amino-3-[butan-2-yl(ethyl)amino]-N,N-diethylbutanamide
CID 66431882
4-amino-N,N-diethyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]butanamide
CID 66431891
4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide
CID 66432918
4-amino-N,N-diethyl-3-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 66431686
4-amino-N,N-diethyl-3-[methyl(thiophen-2-ylmethyl)amino]butanamide
CID 66432298
4-amino-N,N-diethyl-3-[2-methylpropyl(pentan-3-yl)amino]butanamide
CID 79490448
4-amino-N,N-diethyl-3-[methyl(2-pyridin-2-ylethyl)amino]butanamide
CID 66430451
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybutanamide
CID 103156201
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbutanamide
CID 79668143
3-(2,2-dimethylpropanoyl)-N,N-diethyl-5,5-dimethyl-4-oxohexanamide
CID 91568368

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide?
The IUPAC name of 4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide (CID 66432910) is 4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide.
What is the SMILES notation for 4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide?
The canonical SMILES for 4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide is CCN(CC)C(=O)CC(CN)N(C)CC(C)(C)C.
What is the InChIKey of 4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide?
The InChIKey is MKUPACRVCYUJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-7-17(8-2)13(18)9-12(10-15)16(6)11-14(3,4)5/h12H,7-11,15H2,1-6H3.
What are the key properties of 4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide?
4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide has a molecular weight of 257.42 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide is sourced from PubChem (CID 66432910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).