(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride

C12H29Cl2N3O — CID 119830610

IUPAC(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride
SMILESCN(C)C(C)(C)CNC(=O)[C@@H](N)C(C)(C)C.Cl.Cl
InChIInChI=1S/C12H27N3O.2ClH/c1-11(2,3)9(13)10(16)14-8-12(4,5)15(6)7;;/h9H,8,13H2,1-7H3,(H,14,16);2*1H/t9-;;/m1../s1
InChIKeyVEWLNWABGUZWSS-KLQYNRQASA-N
MW302.29 g/mol
LogP1.66
Rot. Bonds4

About (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride

(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride (PubChem CID 119830610) has the molecular formula C12H29Cl2N3O and a molecular weight of 302.29 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride
PubChem CID119830610
Molecular FormulaC12H29Cl2N3O
Molecular Weight302.29 g/mol
Exact Mass301.17
IUPAC Name(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride
SMILESCN(C)C(C)(C)CNC(=O)[C@@H](N)C(C)(C)C.Cl.Cl
InChIInChI=1S/C12H27N3O.2ClH/c1-11(2,3)9(13)10(16)14-8-12(4,5)15(6)7;;/h9H,8,13H2,1-7H3,(H,14,16);2*1H/t9-;;/m1../s1
InChIKeyVEWLNWABGUZWSS-KLQYNRQASA-N
XLogP1.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride 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-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide
CID 61250015
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide
CID 61249640
(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119736012
N-[2-(dimethylamino)-2-methylpropyl]-2,2-difluoroacetamide
CID 103600685
N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide
CID 107026862
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethylbutanamide
CID 115360318
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3-dimethylbutanamide
CID 112555904
(2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide
CID 103930127
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669329
4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496799
(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 103929839
2-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-2-ethylbutanoic acid
CID 113308619

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride (CID 119830610) is (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride is CN(C)C(C)(C)CNC(=O)[C@@H](N)C(C)(C)C.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride?
The InChIKey is VEWLNWABGUZWSS-KLQYNRQASA-N. The full InChI is InChI=1S/C12H27N3O.2ClH/c1-11(2,3)9(13)10(16)14-8-12(4,5)15(6)7;;/h9H,8,13H2,1-7H3,(H,14,16);2*1H/t9-;;/m1../s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride?
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride has a molecular weight of 302.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride is sourced from PubChem (CID 119830610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).