3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide

C10H22N2O2 — CID 107204205

IUPAC3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide
SMILESCC(CN(C)CCCCCO)C(N)=O
InChIInChI=1S/C10H22N2O2/c1-9(10(11)14)8-12(2)6-4-3-5-7-13/h9,13H,3-8H2,1-2H3,(H2,11,14)
InChIKeyLNNHIJMNQHFCBV-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.20
Rot. Bonds8

About 3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide

3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide (PubChem CID 107204205) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide
PubChem CID107204205
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide
SMILESCC(CN(C)CCCCCO)C(N)=O
InChIInChI=1S/C10H22N2O2/c1-9(10(11)14)8-12(2)6-4-3-5-7-13/h9,13H,3-8H2,1-2H3,(H2,11,14)
InChIKeyLNNHIJMNQHFCBV-UHFFFAOYSA-N
XLogP0.20
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.20
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

5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol
CID 107203582
5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 62227275
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
methyl 2-methyl-3-[methyl(octyl)amino]propanoate
CID 62011879
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234
(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
1-[5-hydroxypentyl(methyl)amino]propan-2-one
CID 107201025
8-[4-hydroxybutyl(methyl)amino]octanoic acid
CID 170273810
5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol
CID 107203593
2-methyl-3-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63265226
2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107202680

Frequently Asked Questions

What is the IUPAC name of 3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide?
The IUPAC name of 3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide (CID 107204205) is 3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide.
What is the SMILES notation for 3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide?
The canonical SMILES for 3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide is CC(CN(C)CCCCCO)C(N)=O.
What is the InChIKey of 3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide?
The InChIKey is LNNHIJMNQHFCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-9(10(11)14)8-12(2)6-4-3-5-7-13/h9,13H,3-8H2,1-2H3,(H2,11,14).
What are the key properties of 3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide?
3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide has a molecular weight of 202.30 g/mol, XLogP of 0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide is sourced from PubChem (CID 107204205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).