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

C12H27N3O — CID 66432485

IUPAC4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(CN)N(C)CC(C)(C)C
InChIInChI=1S/C12H27N3O/c1-12(2,3)9-15(6)10(8-13)7-11(16)14(4)5/h10H,7-9,13H2,1-6H3
InChIKeyRMFRPBLQXJEZQW-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.77
Rot. Bonds5

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

4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylbutanamide (PubChem CID 66432485) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylbutanamide
PubChem CID66432485
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(CN)N(C)CC(C)(C)C
InChIInChI=1S/C12H27N3O/c1-12(2,3)9-15(6)10(8-13)7-11(16)14(4)5/h10H,7-9,13H2,1-6H3
InChIKeyRMFRPBLQXJEZQW-UHFFFAOYSA-N
XLogP0.77
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-diethylbutanamide
CID 66432910
4-amino-3-[2,2-dimethylpropyl(methyl)amino]butanamide
CID 66429453
4-amino-3-[3-(dimethylamino)propyl-methylamino]-N,N-dimethylbutanamide
CID 66430036
4-amino-3-[cyclopropylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66430431
4-amino-3-[2-ethoxyethyl(methyl)amino]-N,N-dimethylbutanamide
CID 81059610
4-amino-3-[3-methoxypropyl(methyl)amino]-N,N-dimethylbutanamide
CID 66431256
4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66429827
4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66431862
4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide
CID 79314706
4-amino-3-[2-methoxyethyl(pentan-3-yl)amino]-N,N-dimethylbutanamide
CID 66431664
(3R)-3-hydroxy-N,N,4,4-tetramethylpentanamide
CID 13197450
3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide
CID 63578194

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylbutanamide?
The IUPAC name of 4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylbutanamide (CID 66432485) is 4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylbutanamide is CN(C)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-dimethylbutanamide?
The InChIKey is RMFRPBLQXJEZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-12(2,3)9-15(6)10(8-13)7-11(16)14(4)5/h10H,7-9,13H2,1-6H3.
What are the key properties of 4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylbutanamide?
4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylbutanamide has a molecular weight of 229.37 g/mol, XLogP of 0.77, 5 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-dimethylbutanamide is sourced from PubChem (CID 66432485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).