N-tert-butyl-N-(hydroxymethyl)formamide

C6H13NO2 — CID 87322074

IUPACN-tert-butyl-N-(hydroxymethyl)formamide
SMILESCC(C)(C)N(C=O)CO
InChIInChI=1S/C6H13NO2/c1-6(2,3)7(4-8)5-9/h4,9H,5H2,1-3H3
InChIKeyVRYVFJYIGJVHJK-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.19
Rot. Bonds2

About N-tert-butyl-N-(hydroxymethyl)formamide

N-tert-butyl-N-(hydroxymethyl)formamide (PubChem CID 87322074) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-tert-butyl-N-(hydroxymethyl)formamide.

Molecular Properties

Compound NameN-tert-butyl-N-(hydroxymethyl)formamide
PubChem CID87322074
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-tert-butyl-N-(hydroxymethyl)formamide
SMILESCC(C)(C)N(C=O)CO
InChIInChI=1S/C6H13NO2/c1-6(2,3)7(4-8)5-9/h4,9H,5H2,1-3H3
InChIKeyVRYVFJYIGJVHJK-UHFFFAOYSA-N
XLogP0.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-tert-butyl-N-(hydroxymethyl)formamide?
The IUPAC name of N-tert-butyl-N-(hydroxymethyl)formamide (CID 87322074) is N-tert-butyl-N-(hydroxymethyl)formamide.
What is the SMILES notation for N-tert-butyl-N-(hydroxymethyl)formamide?
The canonical SMILES for N-tert-butyl-N-(hydroxymethyl)formamide is CC(C)(C)N(C=O)CO.
What is the InChIKey of N-tert-butyl-N-(hydroxymethyl)formamide?
The InChIKey is VRYVFJYIGJVHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2,3)7(4-8)5-9/h4,9H,5H2,1-3H3.
What are the key properties of N-tert-butyl-N-(hydroxymethyl)formamide?
N-tert-butyl-N-(hydroxymethyl)formamide has a molecular weight of 131.18 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(hydroxymethyl)formamide is sourced from PubChem (CID 87322074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).