2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine

C10H20F3NO — CID 66276072

IUPAC2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
SMILESCC(OCCCC(C)(C)CN)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(10(11,12)13)15-6-4-5-9(2,3)7-14/h8H,4-7,14H2,1-3H3
InChIKeyAUJAZUJUIPTTNC-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.72
Rot. Bonds6

About 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine

2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine (PubChem CID 66276072) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
PubChem CID66276072
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
SMILESCC(OCCCC(C)(C)CN)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(10(11,12)13)15-6-4-5-9(2,3)7-14/h8H,4-7,14H2,1-3H3
InChIKeyAUJAZUJUIPTTNC-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine (CID 66276072) is 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine is CC(OCCCC(C)(C)CN)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
The InChIKey is AUJAZUJUIPTTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-8(10(11,12)13)15-6-4-5-9(2,3)7-14/h8H,4-7,14H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine is sourced from PubChem (CID 66276072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).