N-(2-methylpropyl)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine

C12H24F3NO — CID 66274666

IUPACN-(2-methylpropyl)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
SMILESCC(C)CNCCCC(C)OC(C)C(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-9(2)8-16-7-5-6-10(3)17-11(4)12(13,14)15/h9-11,16H,5-8H2,1-4H3
InChIKeyYPLIDVBTETWBBX-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.37
Rot. Bonds8

About N-(2-methylpropyl)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine

N-(2-methylpropyl)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine (PubChem CID 66274666) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
PubChem CID66274666
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC NameN-(2-methylpropyl)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
SMILESCC(C)CNCCCC(C)OC(C)C(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-9(2)8-16-7-5-6-10(3)17-11(4)12(13,14)15/h9-11,16H,5-8H2,1-4H3
InChIKeyYPLIDVBTETWBBX-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
The IUPAC name of N-(2-methylpropyl)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine (CID 66274666) is N-(2-methylpropyl)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine is CC(C)CNCCCC(C)OC(C)C(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
The InChIKey is YPLIDVBTETWBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-9(2)8-16-7-5-6-10(3)17-11(4)12(13,14)15/h9-11,16H,5-8H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
N-(2-methylpropyl)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine has a molecular weight of 255.32 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine is sourced from PubChem (CID 66274666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).