N-[3,3-dimethyl-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropanamine

C13H24F3NO — CID 81023301

IUPACN-[3,3-dimethyl-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropanamine
SMILESCC(C)(CCCOCC(F)(F)F)CCNC1CC1
InChIInChI=1S/C13H24F3NO/c1-12(2,7-8-17-11-4-5-11)6-3-9-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyYMGLTOKGVPFOEP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds9

About N-[3,3-dimethyl-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropanamine

N-[3,3-dimethyl-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropanamine (PubChem CID 81023301) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[3,3-dimethyl-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3,3-dimethyl-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropanamine
PubChem CID81023301
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-[3,3-dimethyl-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropanamine
SMILESCC(C)(CCCOCC(F)(F)F)CCNC1CC1
InChIInChI=1S/C13H24F3NO/c1-12(2,7-8-17-11-4-5-11)6-3-9-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyYMGLTOKGVPFOEP-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine
CID 167012441
2-ethyl-1-methoxy-N-propan-2-yl-2-propylcyclopropan-1-amine
CID 134907799
1-methoxy-2-methyl-N-propan-2-yl-2-propylcyclopropan-1-amine
CID 134975687
3-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 54961772
N-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
CID 55082869
N-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
CID 55083107
N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 55083389
N-ethyl-2,2-dimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 55090935
2-methyl-N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106502
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine
CID 55106597
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine
CID 55106739
N,2-diethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106752

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropanamine?
The IUPAC name of N-[3,3-dimethyl-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropanamine (CID 81023301) is N-[3,3-dimethyl-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropanamine.
What is the SMILES notation for N-[3,3-dimethyl-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropanamine?
The canonical SMILES for N-[3,3-dimethyl-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropanamine is CC(C)(CCCOCC(F)(F)F)CCNC1CC1.
What is the InChIKey of N-[3,3-dimethyl-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropanamine?
The InChIKey is YMGLTOKGVPFOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-12(2,7-8-17-11-4-5-11)6-3-9-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3.
What are the key properties of N-[3,3-dimethyl-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropanamine?
N-[3,3-dimethyl-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropanamine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropanamine is sourced from PubChem (CID 81023301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).