N-(3-hydroxypropyl)-N-propylformamide

C7H15NO2 — CID 87322220

IUPACN-(3-hydroxypropyl)-N-propylformamide
SMILESCCCN(C=O)CCCO
InChIInChI=1S/C7H15NO2/c1-2-4-8(7-10)5-3-6-9/h7,9H,2-6H2,1H3
InChIKeyDTCJAPCTABPIGI-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.24
Rot. Bonds6

About N-(3-hydroxypropyl)-N-propylformamide

N-(3-hydroxypropyl)-N-propylformamide (PubChem CID 87322220) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-propylformamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-propylformamide
PubChem CID87322220
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(3-hydroxypropyl)-N-propylformamide
SMILESCCCN(C=O)CCCO
InChIInChI=1S/C7H15NO2/c1-2-4-8(7-10)5-3-6-9/h7,9H,2-6H2,1H3
InChIKeyDTCJAPCTABPIGI-UHFFFAOYSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-propylformamide?
The IUPAC name of N-(3-hydroxypropyl)-N-propylformamide (CID 87322220) is N-(3-hydroxypropyl)-N-propylformamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-propylformamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-propylformamide is CCCN(C=O)CCCO.
What is the InChIKey of N-(3-hydroxypropyl)-N-propylformamide?
The InChIKey is DTCJAPCTABPIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-4-8(7-10)5-3-6-9/h7,9H,2-6H2,1H3.
What are the key properties of N-(3-hydroxypropyl)-N-propylformamide?
N-(3-hydroxypropyl)-N-propylformamide has a molecular weight of 145.20 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-propylformamide is sourced from PubChem (CID 87322220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).