N-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine

C11H20F3NO — CID 106210358

IUPACN-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCOC(C)(C)CC(C)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8(7-9(2,3)16-4)15-10(5-6-10)11(12,13)14/h8,15H,5-7H2,1-4H3
InChIKeyXWPGFUQJUBCCSQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.87
Rot. Bonds5

About N-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine

N-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210358) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210358
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCOC(C)(C)CC(C)NC1(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8(7-9(2,3)16-4)15-10(5-6-10)11(12,13)14/h8,15H,5-7H2,1-4H3
InChIKeyXWPGFUQJUBCCSQ-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 43146950
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 66204142
1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 66205173
1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine
CID 66205958
N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 80604812
1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 80605536
1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine
CID 80605860
4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine
CID 81343377
4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine
CID 103529315
3-methoxy-3-methyl-N-(4,4,4-trifluorobutan-2-yl)butan-1-amine
CID 105932397
N-(3-methoxy-3-methylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210030

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210358) is N-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine is COC(C)(C)CC(C)NC1(C(F)(F)F)CC1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is XWPGFUQJUBCCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(7-9(2,3)16-4)15-10(5-6-10)11(12,13)14/h8,15H,5-7H2,1-4H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine?
N-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).