3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide

C11H24N2O2 — CID 106293108

IUPAC3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide
SMILESCCCC(C)(O)CNCCC(=O)N(C)C
InChIInChI=1S/C11H24N2O2/c1-5-7-11(2,15)9-12-8-6-10(14)13(3)4/h12,15H,5-9H2,1-4H3
InChIKeyZCAYJZTVDMHBCF-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.61
Rot. Bonds7

About 3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide

3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide (PubChem CID 106293108) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide
PubChem CID106293108
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide
SMILESCCCC(C)(O)CNCCC(=O)N(C)C
InChIInChI=1S/C11H24N2O2/c1-5-7-11(2,15)9-12-8-6-10(14)13(3)4/h12,15H,5-9H2,1-4H3
InChIKeyZCAYJZTVDMHBCF-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol
CID 106292807
3-(ethylamino)-N,N-dimethylpropanamide
CID 60926487
3-[(4-cyano-2,2-dimethylbutyl)amino]-N,N-dimethylpropanamide
CID 115653050
3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide
CID 62375011
2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106292541
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol
CID 106292488
N,N-dimethyl-3-[(2-methyl-2-phenylpropyl)amino]propanamide
CID 54886707
N,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide
CID 155451070
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol
CID 106290245
2-methyl-1-(propylamino)hexan-2-ol
CID 66039147
3-(2-aminoethylamino)-N,N-dimethylpropanamide
CID 62141656

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide (CID 106293108) is 3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide is CCCC(C)(O)CNCCC(=O)N(C)C.
What is the InChIKey of 3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide?
The InChIKey is ZCAYJZTVDMHBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-7-11(2,15)9-12-8-6-10(14)13(3)4/h12,15H,5-9H2,1-4H3.
What are the key properties of 3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide?
3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide has a molecular weight of 216.32 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 106293108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).