N-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C12H21F3N2O — CID 106212449

IUPACN-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(C)N1CCOC(CNC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C12H21F3N2O/c1-9(2)17-5-6-18-10(8-17)7-16-11(3-4-11)12(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeyBTZAFATUVDNBIJ-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.78
Rot. Bonds4

About N-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106212449) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106212449
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCC(C)N1CCOC(CNC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C12H21F3N2O/c1-9(2)17-5-6-18-10(8-17)7-16-11(3-4-11)12(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeyBTZAFATUVDNBIJ-UHFFFAOYSA-N
XLogP1.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64532686
N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 82723781
4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine
CID 146614610
1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168185
2,3-dimethyl-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]butan-2-ol
CID 106189997
1-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 65109049
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 64534290
4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol
CID 81130459
3-chloro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]butan-1-amine
CID 65024909
2,2-dimethyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]oxan-4-amine
CID 83033331
2-cyclopentyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64535316
2-methyl-3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxolan-3-ol
CID 106101133

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106212449) is N-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is CC(C)N1CCOC(CNC2(C(F)(F)F)CC2)C1.
What is the InChIKey of N-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is BTZAFATUVDNBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9(2)17-5-6-18-10(8-17)7-16-11(3-4-11)12(13,14)15/h9-10,16H,3-8H2,1-2H3.
What are the key properties of N-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 266.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106212449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).