N-(2-hydroxyethyl)-N-propylformamide

C6H13NO2 — CID 12591460

IUPACN-(2-hydroxyethyl)-N-propylformamide
SMILESCCCN(C=O)CCO
InChIInChI=1S/C6H13NO2/c1-2-3-7(6-9)4-5-8/h6,8H,2-5H2,1H3
InChIKeyJUEKJYUPQMGXLO-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.15
Rot. Bonds5

About N-(2-hydroxyethyl)-N-propylformamide

N-(2-hydroxyethyl)-N-propylformamide (PubChem CID 12591460) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propylformamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propylformamide
PubChem CID12591460
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-(2-hydroxyethyl)-N-propylformamide
SMILESCCCN(C=O)CCO
InChIInChI=1S/C6H13NO2/c1-2-3-7(6-9)4-5-8/h6,8H,2-5H2,1H3
InChIKeyJUEKJYUPQMGXLO-UHFFFAOYSA-N
XLogP-0.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-Bis(2-hydroxyethyl)formamide
CID 91333
N,N-bis(2-hydroxyethyl)acetamide
CID 9793833
N-(2-hydroxyethyl)-N-methylacetamide
CID 10510843
N-Ethyl-N-(1-hydroxyethyl)formamide
CID 20086843
N-(2-Hydroxyethyl)-N-methylformamide
CID 74120
N-bis(2-hydroxyethyl)propanamide
CID 112269
Butyl(2-hydroxyethyl)formamide
CID 11389460
N-(hydroxymethyl)-N-propylformamide
CID 13163679
N-(2-hydroxyethyl)-N-methylpropionamide
CID 19991879
Formyl-(2-hydroxyethyl)-dimethylazanium
CID 20084581
N-Formyl-N-methylaminoethanol
CID 20551264
N-(3-hydroxypropyl)-N-methylformamide
CID 54516038

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propylformamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propylformamide (CID 12591460) is N-(2-hydroxyethyl)-N-propylformamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propylformamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propylformamide is CCCN(C=O)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-propylformamide?
The InChIKey is JUEKJYUPQMGXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-3-7(6-9)4-5-8/h6,8H,2-5H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-propylformamide?
N-(2-hydroxyethyl)-N-propylformamide has a molecular weight of 131.18 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propylformamide is sourced from PubChem (CID 12591460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).