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

C11H22F3NO — CID 66277602

IUPACN-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
SMILESCCCNC(C)CCCOC(C)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-7-15-9(2)6-5-8-16-10(3)11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyJCPZCIFFHRMQFP-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds8

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

N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine (PubChem CID 66277602) 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-2-amine.

Molecular Properties

Compound NameN-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
PubChem CID66277602
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
SMILESCCCNC(C)CCCOC(C)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-4-7-15-9(2)6-5-8-16-10(3)11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyJCPZCIFFHRMQFP-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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-2-amine?
The IUPAC name of N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine (CID 66277602) is N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine.
What is the SMILES notation for N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine?
The canonical SMILES for N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine is CCCNC(C)CCCOC(C)C(F)(F)F.
What is the InChIKey of N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine?
The InChIKey is JCPZCIFFHRMQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-7-15-9(2)6-5-8-16-10(3)11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine?
N-propyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 8 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-2-amine is sourced from PubChem (CID 66277602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).