N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine

C11H22F3NO — CID 66275754

IUPACN-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
SMILESCCCNCCCCCOC(C)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-7-15-8-5-4-6-9-16-10(2)11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyIMEGSHQLEIDSAB-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds9

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

N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine (PubChem CID 66275754) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine.

Molecular Properties

Compound NameN-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
PubChem CID66275754
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
SMILESCCCNCCCCCOC(C)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-7-15-8-5-4-6-9-16-10(2)11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyIMEGSHQLEIDSAB-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
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-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
The IUPAC name of N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine (CID 66275754) is N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine.
What is the SMILES notation for N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
The canonical SMILES for N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine is CCCNCCCCCOC(C)C(F)(F)F.
What is the InChIKey of N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
The InChIKey is IMEGSHQLEIDSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-3-7-15-8-5-4-6-9-16-10(2)11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine?
N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine is sourced from PubChem (CID 66275754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).