2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide

C12H27N3O — CID 79805016

IUPAC2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCC(C(C)C)N(C)C
InChIInChI=1S/C12H27N3O/c1-7-12(4,13)11(16)14-8-10(9(2)3)15(5)6/h9-10H,7-8,13H2,1-6H3,(H,14,16)
InChIKeyLENAPWGYZGGJRJ-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.82
Rot. Bonds6

About 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide

2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide (PubChem CID 79805016) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide
PubChem CID79805016
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCC(C(C)C)N(C)C
InChIInChI=1S/C12H27N3O/c1-7-12(4,13)11(16)14-8-10(9(2)3)15(5)6/h9-10H,7-8,13H2,1-6H3,(H,14,16)
InChIKeyLENAPWGYZGGJRJ-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-phenylpropanamide
CID 62488600
2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 79811579
2-amino-N-(2-cyanopropyl)-2-methylbutanamide
CID 79811894
2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide
CID 79811130
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide
CID 107152773
2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475584
2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate
CID 65168600
2-amino-N-(2,2-dimethylpropyl)-2-methylbutanamide
CID 79805965
2-amino-N-[3-(dimethylamino)-3-oxopropyl]-2-methylbutanamide
CID 79797030
methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate
CID 79797109
N-[2-(dimethylamino)-3-methylbutyl]-2-methoxyacetamide
CID 60724343
2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 79805944

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide (CID 79805016) is 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide is CCC(C)(N)C(=O)NCC(C(C)C)N(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide?
The InChIKey is LENAPWGYZGGJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-7-12(4,13)11(16)14-8-10(9(2)3)15(5)6/h9-10H,7-8,13H2,1-6H3,(H,14,16).
What are the key properties of 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide?
2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide has a molecular weight of 229.37 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide is sourced from PubChem (CID 79805016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).