4-methyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine

C14H28F3NO — CID 62531116

IUPAC4-methyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
SMILESCCCNCC(CCCOCC(F)(F)F)CC(C)C
InChIInChI=1S/C14H28F3NO/c1-4-7-18-10-13(9-12(2)3)6-5-8-19-11-14(15,16)17/h12-13,18H,4-11H2,1-3H3
InChIKeyJFBXELKGKSSSBA-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.01
Rot. Bonds11

About 4-methyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine

4-methyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine (PubChem CID 62531116) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-methyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
PubChem CID62531116
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name4-methyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
SMILESCCCNCC(CCCOCC(F)(F)F)CC(C)C
InChIInChI=1S/C14H28F3NO/c1-4-7-18-10-13(9-12(2)3)6-5-8-19-11-14(15,16)17/h12-13,18H,4-11H2,1-3H3
InChIKeyJFBXELKGKSSSBA-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.01
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 4-methyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine (CID 62531116) is 4-methyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine is CCCNCC(CCCOCC(F)(F)F)CC(C)C.
What is the InChIKey of 4-methyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The InChIKey is JFBXELKGKSSSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-4-7-18-10-13(9-12(2)3)6-5-8-19-11-14(15,16)17/h12-13,18H,4-11H2,1-3H3.
What are the key properties of 4-methyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
4-methyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine is sourced from PubChem (CID 62531116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).