3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide

C11H24N2O2 — CID 106095865

IUPAC3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide
SMILESCCC(C)(CO)CNC(C)(C)CC(N)=O
InChIInChI=1S/C11H24N2O2/c1-5-11(4,8-14)7-13-10(2,3)6-9(12)15/h13-14H,5-8H2,1-4H3,(H2,12,15)
InChIKeyMIWLBPRVJGYLLN-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.64
Rot. Bonds7

About 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide

3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide (PubChem CID 106095865) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide
PubChem CID106095865
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide
SMILESCCC(C)(CO)CNC(C)(C)CC(N)=O
InChIInChI=1S/C11H24N2O2/c1-5-11(4,8-14)7-13-10(2,3)6-9(12)15/h13-14H,5-8H2,1-4H3,(H2,12,15)
InChIKeyMIWLBPRVJGYLLN-UHFFFAOYSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate
CID 106096239
2-methyl-2-[(2-methylbut-3-yn-2-ylamino)methyl]butan-1-ol
CID 81419461
4-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzamide
CID 81412295
3-(2-amino-2-oxoethyl)-3-methylpentanediamide
CID 86237649
3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide
CID 106097393
acetic acid;2-ethyl-2-methylpropane-1,3-diol
CID 71375567
3-methyl-3-(3-methylbut-3-enylamino)butanamide
CID 104926886
2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide
CID 106096112
3-[[(E)-3-chloroprop-2-enyl]amino]-3-methylbutanamide
CID 104580489
2-[(2-aminoethylamino)methyl]-2-methylbutan-1-ol
CID 81418901
butyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate
CID 104580235
3-methyl-3-(3-methylsulfanylpropylamino)butanamide
CID 104580425

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide?
The IUPAC name of 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide (CID 106095865) is 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide.
What is the SMILES notation for 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide?
The canonical SMILES for 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide is CCC(C)(CO)CNC(C)(C)CC(N)=O.
What is the InChIKey of 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide?
The InChIKey is MIWLBPRVJGYLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-11(4,8-14)7-13-10(2,3)6-9(12)15/h13-14H,5-8H2,1-4H3,(H2,12,15).
What are the key properties of 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide?
3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide has a molecular weight of 216.32 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide is sourced from PubChem (CID 106095865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).