N-(3-methoxy-3-methylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine

C10H18F3NO — CID 106210030

IUPACN-(3-methoxy-3-methylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCOC(C)(C)CCNC1(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-8(2,15-3)6-7-14-9(4-5-9)10(11,12)13/h14H,4-7H2,1-3H3
InChIKeyXYSSSIZDMOEEFI-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds5

About N-(3-methoxy-3-methylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine

N-(3-methoxy-3-methylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106210030) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106210030
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-(3-methoxy-3-methylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCOC(C)(C)CCNC1(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-8(2,15-3)6-7-14-9(4-5-9)10(11,12)13/h14H,4-7H2,1-3H3
InChIKeyXYSSSIZDMOEEFI-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine
CID 89110455
N-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine
CID 175628773
4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 43146950
2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropan-1-amine
CID 61894189
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
4-(Tert-butylamino)-1,1,1-trifluoro-2-methylbutan-2-ol
CID 80558962
N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 80604812
4-(Tert-butylamino)-1,1-difluoro-2-methylbutan-2-ol
CID 80604836
1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 80605536

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine (CID 106210030) is N-(3-methoxy-3-methylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine is COC(C)(C)CCNC1(C(F)(F)F)CC1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is XYSSSIZDMOEEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8(2,15-3)6-7-14-9(4-5-9)10(11,12)13/h14H,4-7H2,1-3H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine?
N-(3-methoxy-3-methylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106210030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).