N-(1-hydroxy-2,2-dimethylpropyl)-N-methylformamide

C7H15NO2 — CID 135183355

IUPACN-(1-hydroxy-2,2-dimethylpropyl)-N-methylformamide
SMILESCN(C=O)C(O)C(C)(C)C
InChIInChI=1S/C7H15NO2/c1-7(2,3)6(10)8(4)5-9/h5-6,10H,1-4H3
InChIKeyWXQSJWQFZLJNLM-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.44
Rot. Bonds2

About N-(1-hydroxy-2,2-dimethylpropyl)-N-methylformamide

N-(1-hydroxy-2,2-dimethylpropyl)-N-methylformamide (PubChem CID 135183355) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(1-hydroxy-2,2-dimethylpropyl)-N-methylformamide.

Molecular Properties

Compound NameN-(1-hydroxy-2,2-dimethylpropyl)-N-methylformamide
PubChem CID135183355
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(1-hydroxy-2,2-dimethylpropyl)-N-methylformamide
SMILESCN(C=O)C(O)C(C)(C)C
InChIInChI=1S/C7H15NO2/c1-7(2,3)6(10)8(4)5-9/h5-6,10H,1-4H3
InChIKeyWXQSJWQFZLJNLM-UHFFFAOYSA-N
XLogP0.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.44
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-(1-hydroxy-2,2-dimethylpropyl)-N-methylformamide?
The IUPAC name of N-(1-hydroxy-2,2-dimethylpropyl)-N-methylformamide (CID 135183355) is N-(1-hydroxy-2,2-dimethylpropyl)-N-methylformamide.
What is the SMILES notation for N-(1-hydroxy-2,2-dimethylpropyl)-N-methylformamide?
The canonical SMILES for N-(1-hydroxy-2,2-dimethylpropyl)-N-methylformamide is CN(C=O)C(O)C(C)(C)C.
What is the InChIKey of N-(1-hydroxy-2,2-dimethylpropyl)-N-methylformamide?
The InChIKey is WXQSJWQFZLJNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,3)6(10)8(4)5-9/h5-6,10H,1-4H3.
What are the key properties of N-(1-hydroxy-2,2-dimethylpropyl)-N-methylformamide?
N-(1-hydroxy-2,2-dimethylpropyl)-N-methylformamide has a molecular weight of 145.20 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2,2-dimethylpropyl)-N-methylformamide is sourced from PubChem (CID 135183355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).