N-butyl-N-(hydroxymethyl)formamide

C6H13NO2 — CID 13163680

IUPACN-butyl-N-(hydroxymethyl)formamide
SMILESCCCCN(C=O)CO
InChIInChI=1S/C6H13NO2/c1-2-3-4-7(5-8)6-9/h5,9H,2-4,6H2,1H3
InChIKeyXOVUKQFTEWWYCK-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.19
Rot. Bonds5

About N-butyl-N-(hydroxymethyl)formamide

N-butyl-N-(hydroxymethyl)formamide (PubChem CID 13163680) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-butyl-N-(hydroxymethyl)formamide.

Molecular Properties

Compound NameN-butyl-N-(hydroxymethyl)formamide
PubChem CID13163680
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-butyl-N-(hydroxymethyl)formamide
SMILESCCCCN(C=O)CO
InChIInChI=1S/C6H13NO2/c1-2-3-4-7(5-8)6-9/h5,9H,2-4,6H2,1H3
InChIKeyXOVUKQFTEWWYCK-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(hydroxymethyl)formamide?
The IUPAC name of N-butyl-N-(hydroxymethyl)formamide (CID 13163680) is N-butyl-N-(hydroxymethyl)formamide.
What is the SMILES notation for N-butyl-N-(hydroxymethyl)formamide?
The canonical SMILES for N-butyl-N-(hydroxymethyl)formamide is CCCCN(C=O)CO.
What is the InChIKey of N-butyl-N-(hydroxymethyl)formamide?
The InChIKey is XOVUKQFTEWWYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-3-4-7(5-8)6-9/h5,9H,2-4,6H2,1H3.
What are the key properties of N-butyl-N-(hydroxymethyl)formamide?
N-butyl-N-(hydroxymethyl)formamide has a molecular weight of 131.18 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(hydroxymethyl)formamide is sourced from PubChem (CID 13163680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).