2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine

C12H24F3NO — CID 64663720

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

About 2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine

2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine (PubChem CID 64663720) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
PubChem CID64663720
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
SMILESCC(CCCCOCC(F)(F)F)CNC(C)C
InChIInChI=1S/C12H24F3NO/c1-10(2)16-8-11(3)6-4-5-7-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyUPDSHERYGDPQIT-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'}

Analyze 2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83138342
N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62725863
7-methoxy-2-methyl-N-propan-2-ylheptan-1-amine
CID 104650066
N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 103208163
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83150372
4-bromo-1-(2,2,2-trifluoroethoxy)pentane
CID 54772582
2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491061
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine
CID 81033222
1-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)butane
CID 66049605
2-methyl-3-methylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-1-amine
CID 63966064
ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane
CID 153342663

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine (CID 64663720) is 2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine is CC(CCCCOCC(F)(F)F)CNC(C)C.
What is the InChIKey of 2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine?
The InChIKey is UPDSHERYGDPQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-10(2)16-8-11(3)6-4-5-7-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine?
2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-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-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine is sourced from PubChem (CID 64663720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).