N-(hydroxymethyl)-N-propylformamide

C5H11NO2 — CID 13163679

IUPACN-(hydroxymethyl)-N-propylformamide
SMILESCCCN(C=O)CO
InChIInChI=1S/C5H11NO2/c1-2-3-6(4-7)5-8/h4,8H,2-3,5H2,1H3
InChIKeyCBWQIIKKZPITOS-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.20
Rot. Bonds4

About N-(hydroxymethyl)-N-propylformamide

N-(hydroxymethyl)-N-propylformamide (PubChem CID 13163679) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is N-(hydroxymethyl)-N-propylformamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-N-propylformamide
PubChem CID13163679
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC NameN-(hydroxymethyl)-N-propylformamide
SMILESCCCN(C=O)CO
InChIInChI=1S/C5H11NO2/c1-2-3-6(4-7)5-8/h4,8H,2-3,5H2,1H3
InChIKeyCBWQIIKKZPITOS-UHFFFAOYSA-N
XLogP-0.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-Formyl-N-methylaminoethanol
CID 20551264
N-(3-hydroxypropyl)-N-methylformamide
CID 54516038
N-butan-2-yl-N-(hydroxymethyl)formamide
CID 87322054
N-Methyl-N-propylformamide
CID 19070644
N-(2-hydroxyethyl)-N-propylformamide
CID 12591460
N-ethyl-N-(hydroxymethyl)formamide
CID 13163678
N-butyl-N-(hydroxymethyl)formamide
CID 13163680
N-ethyl-N-(3-hydroxypropyl)formamide
CID 19845153
Formyl(propyl)carbamic acid
CID 21444738
Butyl(formyl)carbamic acid
CID 21444761
Hydroxymethyl(2-methylpropyl)carbamic acid
CID 21808682
N-formyl-N-propylformamide
CID 54404212

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-N-propylformamide?
The IUPAC name of N-(hydroxymethyl)-N-propylformamide (CID 13163679) is N-(hydroxymethyl)-N-propylformamide.
What is the SMILES notation for N-(hydroxymethyl)-N-propylformamide?
The canonical SMILES for N-(hydroxymethyl)-N-propylformamide is CCCN(C=O)CO.
What is the InChIKey of N-(hydroxymethyl)-N-propylformamide?
The InChIKey is CBWQIIKKZPITOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-2-3-6(4-7)5-8/h4,8H,2-3,5H2,1H3.
What are the key properties of N-(hydroxymethyl)-N-propylformamide?
N-(hydroxymethyl)-N-propylformamide has a molecular weight of 117.15 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-N-propylformamide is sourced from PubChem (CID 13163679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).