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

C7H15NO — CID 54522026

IUPACN-(2,2-dimethylpropyl)-N-methylformamide
SMILESCN(C=O)CC(C)(C)C
InChIInChI=1S/C7H15NO/c1-7(2,3)5-8(4)6-9/h6H,5H2,1-4H3
InChIKeyYDFJDAYFBVHACK-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.12
Rot. Bonds2

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

N-(2,2-dimethylpropyl)-N-methylformamide (PubChem CID 54522026) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-methylformamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-methylformamide
PubChem CID54522026
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-(2,2-dimethylpropyl)-N-methylformamide
SMILESCN(C=O)CC(C)(C)C
InChIInChI=1S/C7H15NO/c1-7(2,3)5-8(4)6-9/h6H,5H2,1-4H3
InChIKeyYDFJDAYFBVHACK-UHFFFAOYSA-N
XLogP1.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,2-dimethylpropyl)-N-methylformamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-methylformamide (CID 54522026) is N-(2,2-dimethylpropyl)-N-methylformamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-methylformamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-methylformamide is CN(C=O)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-methylformamide?
The InChIKey is YDFJDAYFBVHACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2,3)5-8(4)6-9/h6H,5H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-methylformamide?
N-(2,2-dimethylpropyl)-N-methylformamide has a molecular weight of 129.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-methylformamide is sourced from PubChem (CID 54522026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).