N-tert-butyl-N-ethylformamide

C7H15NO — CID 54396021

IUPACN-tert-butyl-N-ethylformamide
SMILESCCN(C=O)C(C)(C)C
InChIInChI=1S/C7H15NO/c1-5-8(6-9)7(2,3)4/h6H,5H2,1-4H3
InChIKeyZNVKGNQJWLICQU-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.26
Rot. Bonds2

About N-tert-butyl-N-ethylformamide

N-tert-butyl-N-ethylformamide (PubChem CID 54396021) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-tert-butyl-N-ethylformamide.

Molecular Properties

Compound NameN-tert-butyl-N-ethylformamide
PubChem CID54396021
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-tert-butyl-N-ethylformamide
SMILESCCN(C=O)C(C)(C)C
InChIInChI=1S/C7H15NO/c1-5-8(6-9)7(2,3)4/h6H,5H2,1-4H3
InChIKeyZNVKGNQJWLICQU-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-tert-butyl-N-ethylformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethylformamide
CID 12051
N,N-Dipropylformamide
CID 22687
N,N-bis(1-methylethyl)formamide
CID 75912
Formamide, N-(tert-butyl)-N-methyl-
CID 45714
N-methyl-N-(propan-2-yl)formamide
CID 14529853
N,N-ditert-butylformamide
CID 10898954
N-isopropyl-N-n-propylformamide
CID 19070657
N-ethyl-N-propan-2-ylformamide
CID 19828862
N-tert-butyl-N-propylformamide
CID 54077144
N-tert-butyl-N-ethylcarbamoyl fluoride
CID 155331800
N-tert-butyl-N-(2-fluoroethyl)formamide
CID 174765591
N-ethyl-N-propylformamide
CID 12622744

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-ethylformamide?
The IUPAC name of N-tert-butyl-N-ethylformamide (CID 54396021) is N-tert-butyl-N-ethylformamide.
What is the SMILES notation for N-tert-butyl-N-ethylformamide?
The canonical SMILES for N-tert-butyl-N-ethylformamide is CCN(C=O)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-ethylformamide?
The InChIKey is ZNVKGNQJWLICQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-8(6-9)7(2,3)4/h6H,5H2,1-4H3.
What are the key properties of N-tert-butyl-N-ethylformamide?
N-tert-butyl-N-ethylformamide has a molecular weight of 129.20 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-ethylformamide is sourced from PubChem (CID 54396021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).