2-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine

C12H24F3NO — CID 61490819

IUPAC2-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCCCNC(CCCOCC(F)(F)F)C(C)C
InChIInChI=1S/C12H24F3NO/c1-4-7-16-11(10(2)3)6-5-8-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyVIDJKBFHEGVPHV-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.37
Rot. Bonds9

About 2-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine

2-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine (PubChem CID 61490819) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
PubChem CID61490819
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name2-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCCCNC(CCCOCC(F)(F)F)C(C)C
InChIInChI=1S/C12H24F3NO/c1-4-7-16-11(10(2)3)6-5-8-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyVIDJKBFHEGVPHV-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.37
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-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 66204343
(2S)-4-(1-fluoroethoxymethyl)-2-propan-2-ylpyrrolidine
CID 132093745
2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine
CID 134408977
(1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 146615373
N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146615375
N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146615508
N-[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146626775
N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine
CID 166470499
N-[(3R)-3-fluorobutan-2-yl]-2-methyl-1-(oxan-4-yl)propan-1-amine
CID 173964280
3-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 54961772
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
N-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55082815

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The IUPAC name of 2-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine (CID 61490819) is 2-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine.
What is the SMILES notation for 2-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The canonical SMILES for 2-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine is CCCNC(CCCOCC(F)(F)F)C(C)C.
What is the InChIKey of 2-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The InChIKey is VIDJKBFHEGVPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-4-7-16-11(10(2)3)6-5-8-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
2-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine has a molecular weight of 255.32 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine is sourced from PubChem (CID 61490819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).