3-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide

C10H19NO — CID 119082377

IUPAC3-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(C)(C)C1C(C(N)=O)C1(C)C
InChIInChI=1S/C10H19NO/c1-9(2,3)7-6(8(11)12)10(7,4)5/h6-7H,1-5H3,(H2,11,12)
InChIKeyYSJSVHTXRBHQRO-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.79
Rot. Bonds1

About 3-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide

3-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 119082377) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID119082377
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(C)(C)C1C(C(N)=O)C1(C)C
InChIInChI=1S/C10H19NO/c1-9(2,3)7-6(8(11)12)10(7,4)5/h6-7H,1-5H3,(H2,11,12)
InChIKeyYSJSVHTXRBHQRO-UHFFFAOYSA-N
XLogP1.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,3R)-3-tert-butyl-2,2-dimethylcyclopropane-1-carboxylic acid
CID 178202726
cis-(1R,3R)-3-ethenyl-2,2-dimethylcyclopropane-1-carboxamide
CID 45084091
5-(2-hydroxypropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 15162720
2,7,7-trimethyltricyclo[4.1.1.02,4]octane-3-carboxamide
CID 10375351
diazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate
CID 118988856
cis-(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
CID 13041627
2-O-tert-butyl 1-O-methyl 3,3-dimethylcyclopropane-1,2-dicarboxylate
CID 13041622
cyclopentane;2,2-dimethylpropanamide
CID 90008477
cyclobutane;2,2-dimethylpropanamide
CID 145147245
trans-(1R,3R)-3-(2-hydroperoxy-2-methylpropanoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 102246226
cis-ethyl (1S,6R)-6-ethyl-2,2-dimethylcyclohexane-1-carboxylate
CID 54441398
methyl 2-[3-tert-butyl-2-methyl-2-(trideuteriomethyl)cyclopropyl]acetate
CID 118042032

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of 3-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide (CID 119082377) is 3-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for 3-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide is CC(C)(C)C1C(C(N)=O)C1(C)C.
What is the InChIKey of 3-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is YSJSVHTXRBHQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2,3)7-6(8(11)12)10(7,4)5/h6-7H,1-5H3,(H2,11,12).
What are the key properties of 3-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide?
3-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 169.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 119082377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).