(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide

C11H25N3O — CID 61250015

IUPAC(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C11H25N3O/c1-8(2)9(12)10(15)13-7-11(3,4)14(5)6/h8-9H,7,12H2,1-6H3,(H,13,15)/t9-/m0/s1
InChIKeyACNZELUBADOWDX-VIFPVBQESA-N
MW215.34 g/mol
LogP0.43
Rot. Bonds5

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

(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide (PubChem CID 61250015) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide
PubChem CID61250015
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C11H25N3O/c1-8(2)9(12)10(15)13-7-11(3,4)14(5)6/h8-9H,7,12H2,1-6H3,(H,13,15)/t9-/m0/s1
InChIKeyACNZELUBADOWDX-VIFPVBQESA-N
XLogP0.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide
CID 61249640
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119830610
N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide
CID 107026862
N-[2-(dimethylamino)-2-methylpropyl]-2,2-difluoroacetamide
CID 103600685
(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride
CID 119296292
(2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79551034
4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496799
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbutanamide
CID 106147902
(2S)-2-amino-N-[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-2-oxoethyl]-3-methylbutanamide
CID 113475625
(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbutanamide
CID 63865932
(2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82962169
(2S)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3-methylbutanamide
CID 83110298

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide (CID 61250015) is (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(C)(C)N(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide?
The InChIKey is ACNZELUBADOWDX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H25N3O/c1-8(2)9(12)10(15)13-7-11(3,4)14(5)6/h8-9H,7,12H2,1-6H3,(H,13,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide has a molecular weight of 215.34 g/mol, XLogP of 0.43, 5 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-methylbutanamide is sourced from PubChem (CID 61250015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).