N-tert-butylformamide;ethane

C7H17NO — CID 142078215

IUPACN-tert-butylformamide;ethane
SMILESCC.CC(C)(C)NC=O
InChIInChI=1S/C5H11NO.C2H6/c1-5(2,3)6-4-7;1-2/h4H,1-3H3,(H,6,7);1-2H3
InChIKeyLXWVQMRIYFOQEJ-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.56
Rot. Bonds1

About N-tert-butylformamide;ethane

N-tert-butylformamide;ethane (PubChem CID 142078215) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is N-tert-butylformamide;ethane.

Molecular Properties

Compound NameN-tert-butylformamide;ethane
PubChem CID142078215
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC NameN-tert-butylformamide;ethane
SMILESCC.CC(C)(C)NC=O
InChIInChI=1S/C5H11NO.C2H6/c1-5(2,3)6-4-7;1-2/h4H,1-3H3,(H,6,7);1-2H3
InChIKeyLXWVQMRIYFOQEJ-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dihydroxyethyl)formamide
CID 87394549
N-[2-(2-formamidopropan-2-yloxy)propan-2-yl]formamide
CID 88642240
N-(1,1-dimethoxyethyl)formamide
CID 57315952
2,2-diformamidopropanoic acid
CID 87109916
N-(1-fluoro-2-methylpropan-2-yl)formamide
CID 14806739
N-(4-methylheptan-4-yl)formamide
CID 54483706
N-(2-hydroxybutan-2-yl)formamide
CID 57325343
2-formamido-N,2-dimethylpropanamide
CID 88936933
N-(2,4-dimethyl-4-sulfanylpentan-2-yl)formamide
CID 89377125
N-(2-methyl-4-phosphanylbutan-2-yl)formamide
CID 142361744
lithium;(E)-N,N'-ditert-butylethene-1,2-diamine;hydride
CID 173171316
2,2-dimethylpropane;ethane;N-ethylformamide
CID 142479182

Frequently Asked Questions

What is the IUPAC name of N-tert-butylformamide;ethane?
The IUPAC name of N-tert-butylformamide;ethane (CID 142078215) is N-tert-butylformamide;ethane.
What is the SMILES notation for N-tert-butylformamide;ethane?
The canonical SMILES for N-tert-butylformamide;ethane is CC.CC(C)(C)NC=O.
What is the InChIKey of N-tert-butylformamide;ethane?
The InChIKey is LXWVQMRIYFOQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H6/c1-5(2,3)6-4-7;1-2/h4H,1-3H3,(H,6,7);1-2H3.
What are the key properties of N-tert-butylformamide;ethane?
N-tert-butylformamide;ethane has a molecular weight of 131.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylformamide;ethane is sourced from PubChem (CID 142078215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).