3-(2-hydroxypropylamino)-2,2-dimethylpropanal

C8H17NO2 — CID 134346412

IUPAC3-(2-hydroxypropylamino)-2,2-dimethylpropanal
SMILESCC(O)CNCC(C)(C)C=O
InChIInChI=1S/C8H17NO2/c1-7(11)4-9-5-8(2,3)6-10/h6-7,9,11H,4-5H2,1-3H3
InChIKeyFLCKJTPBTKEXKI-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.18
Rot. Bonds5

About 3-(2-hydroxypropylamino)-2,2-dimethylpropanal

3-(2-hydroxypropylamino)-2,2-dimethylpropanal (PubChem CID 134346412) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(2-hydroxypropylamino)-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-(2-hydroxypropylamino)-2,2-dimethylpropanal
PubChem CID134346412
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(2-hydroxypropylamino)-2,2-dimethylpropanal
SMILESCC(O)CNCC(C)(C)C=O
InChIInChI=1S/C8H17NO2/c1-7(11)4-9-5-8(2,3)6-10/h6-7,9,11H,4-5H2,1-3H3
InChIKeyFLCKJTPBTKEXKI-UHFFFAOYSA-N
XLogP0.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropylamino)-2,2-dimethylpropanal?
The IUPAC name of 3-(2-hydroxypropylamino)-2,2-dimethylpropanal (CID 134346412) is 3-(2-hydroxypropylamino)-2,2-dimethylpropanal.
What is the SMILES notation for 3-(2-hydroxypropylamino)-2,2-dimethylpropanal?
The canonical SMILES for 3-(2-hydroxypropylamino)-2,2-dimethylpropanal is CC(O)CNCC(C)(C)C=O.
What is the InChIKey of 3-(2-hydroxypropylamino)-2,2-dimethylpropanal?
The InChIKey is FLCKJTPBTKEXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(11)4-9-5-8(2,3)6-10/h6-7,9,11H,4-5H2,1-3H3.
What are the key properties of 3-(2-hydroxypropylamino)-2,2-dimethylpropanal?
3-(2-hydroxypropylamino)-2,2-dimethylpropanal has a molecular weight of 159.23 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropylamino)-2,2-dimethylpropanal is sourced from PubChem (CID 134346412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).