3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal

C10H21NO2 — CID 90790560

IUPAC3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal
SMILESCC(C)C(CNCCO)C(C)C=O
InChIInChI=1S/C10H21NO2/c1-8(2)10(9(3)7-13)6-11-4-5-12/h7-12H,4-6H2,1-3H3
InChIKeySPGLPUIFIXIJGV-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.68
Rot. Bonds7

About 3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal

3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal (PubChem CID 90790560) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal.

Molecular Properties

Compound Name3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal
PubChem CID90790560
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal
SMILESCC(C)C(CNCCO)C(C)C=O
InChIInChI=1S/C10H21NO2/c1-8(2)10(9(3)7-13)6-11-4-5-12/h7-12H,4-6H2,1-3H3
InChIKeySPGLPUIFIXIJGV-UHFFFAOYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethylamino)propan-2-ol;propane
CID 145289862
2-[[(2R)-2-methylbutyl]amino]ethanol
CID 24884413
methyl 3-(2-hydroxyethylamino)-2-methylpropanoate
CID 43398406
2-(2-methanidylpropylamino)ethanol;phosphane;uranium
CID 169191093
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
3-(2-hydroxyethylamino)-2-methylpropanenitrile
CID 43389830
N-(2-fluoroethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905569
(E)-6-(2-hydroxyethylamino)-2-methylhex-4-en-3-one
CID 135183413
2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol
CID 122598675
N-(2,3-dimethyl-4-oxobutyl)formamide
CID 174582773
(2S)-2-hydroxy-3-(2-hydroxyethylamino)propanoic acid
CID 131101909
but-2-enedioic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 173323087

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal?
The IUPAC name of 3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal (CID 90790560) is 3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal.
What is the SMILES notation for 3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal?
The canonical SMILES for 3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal is CC(C)C(CNCCO)C(C)C=O.
What is the InChIKey of 3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal?
The InChIKey is SPGLPUIFIXIJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)10(9(3)7-13)6-11-4-5-12/h7-12H,4-6H2,1-3H3.
What are the key properties of 3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal?
3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal has a molecular weight of 187.28 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyethylamino)methyl]-2,4-dimethylpentanal is sourced from PubChem (CID 90790560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).