(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide

C12H27N3O — CID 103929839

IUPAC(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
SMILESCC(C)N(C)CCNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H27N3O/c1-9(2)15(6)8-7-14-11(16)10(13)12(3,4)5/h9-10H,7-8,13H2,1-6H3,(H,14,16)/t10-/m0/s1
InChIKeyFZTOVARPIITJTE-JTQLQIEISA-N
MW229.37 g/mol
LogP0.82
Rot. Bonds5

About (2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide

(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide (PubChem CID 103929839) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
PubChem CID103929839
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
SMILESCC(C)N(C)CCNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H27N3O/c1-9(2)15(6)8-7-14-11(16)10(13)12(3,4)5/h9-10H,7-8,13H2,1-6H3,(H,14,16)/t10-/m0/s1
InChIKeyFZTOVARPIITJTE-JTQLQIEISA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze (2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114140545
3-amino-3-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 64679060
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide
CID 76979692
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3-dimethylbutanamide
CID 112555904
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide
CID 114175289
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119863863
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
ethane;N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 163258584
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047587
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide (CID 103929839) is (2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide is CC(C)N(C)CCNC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide?
The InChIKey is FZTOVARPIITJTE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H27N3O/c1-9(2)15(6)8-7-14-11(16)10(13)12(3,4)5/h9-10H,7-8,13H2,1-6H3,(H,14,16)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide?
(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide has a molecular weight of 229.37 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide is sourced from PubChem (CID 103929839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).