3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide

C10H23N3O2 — CID 106096310

IUPAC3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide
SMILESCN(C)CC(O)CNC(C)(C)CC(N)=O
InChIInChI=1S/C10H23N3O2/c1-10(2,5-9(11)15)12-6-8(14)7-13(3)4/h8,12,14H,5-7H2,1-4H3,(H2,11,15)
InChIKeyXXSWBMGPPBFXJS-UHFFFAOYSA-N
MW217.31 g/mol
LogP-0.85
Rot. Bonds7

About 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide

3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide (PubChem CID 106096310) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide
PubChem CID106096310
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide
SMILESCN(C)CC(O)CNC(C)(C)CC(N)=O
InChIInChI=1S/C10H23N3O2/c1-10(2,5-9(11)15)12-6-8(14)7-13(3)4/h8,12,14H,5-7H2,1-4H3,(H2,11,15)
InChIKeyXXSWBMGPPBFXJS-UHFFFAOYSA-N
XLogP-0.85
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide
CID 104580249
3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide
CID 104580472
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutanamide
CID 103274874
3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide
CID 106097393
3-[(2-hydroxy-3-octoxypropyl)amino]-3-methylbutanamide
CID 104580494
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]amino]-3-methylbutanamide
CID 104580505
[3-(dimethylamino)-2-hydroxypropyl] carbamate
CID 87246058
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide
CID 104580076
3-methyl-3-(2-propan-2-ylsulfonylethylamino)butanamide
CID 104580439
3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide
CID 104580081
3-methyl-3-(3-methylbut-3-enylamino)butanamide
CID 104926886
1-(dimethylamino)-3-(methylamino)propan-2-ol
CID 12700841

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide?
The IUPAC name of 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide (CID 106096310) is 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide.
What is the SMILES notation for 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide?
The canonical SMILES for 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide is CN(C)CC(O)CNC(C)(C)CC(N)=O.
What is the InChIKey of 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide?
The InChIKey is XXSWBMGPPBFXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-10(2,5-9(11)15)12-6-8(14)7-13(3)4/h8,12,14H,5-7H2,1-4H3,(H2,11,15).
What are the key properties of 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide?
3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide has a molecular weight of 217.31 g/mol, XLogP of -0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)-2-hydroxypropyl]amino]-3-methylbutanamide is sourced from PubChem (CID 106096310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).