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

C14H28F3NO — CID 55083489

IUPAC4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
SMILESCC(C)CC(CCCOCC(F)(F)F)CNC(C)C
InChIInChI=1S/C14H28F3NO/c1-11(2)8-13(9-18-12(3)4)6-5-7-19-10-14(15,16)17/h11-13,18H,5-10H2,1-4H3
InChIKeyMCDVGSUMDCKBEL-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.01
Rot. Bonds10

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

4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine (PubChem CID 55083489) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
PubChem CID55083489
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
SMILESCC(C)CC(CCCOCC(F)(F)F)CNC(C)C
InChIInChI=1S/C14H28F3NO/c1-11(2)8-13(9-18-12(3)4)6-5-7-19-10-14(15,16)17/h11-13,18H,5-10H2,1-4H3
InChIKeyMCDVGSUMDCKBEL-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine (CID 55083489) is 4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine is CC(C)CC(CCCOCC(F)(F)F)CNC(C)C.
What is the InChIKey of 4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
The InChIKey is MCDVGSUMDCKBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-11(2)8-13(9-18-12(3)4)6-5-7-19-10-14(15,16)17/h11-13,18H,5-10H2,1-4H3.
What are the key properties of 4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine?
4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine is sourced from PubChem (CID 55083489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).