N,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine

C11H22F3NO — CID 64718531

IUPACN,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine
SMILESCNC(C)CC(C)CCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(7-10(2)15-3)5-4-6-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyTYDLRBOMZCMRTO-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.98
Rot. Bonds8

About N,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine

N,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine (PubChem CID 64718531) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine
PubChem CID64718531
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine
SMILESCNC(C)CC(C)CCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(7-10(2)15-3)5-4-6-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyTYDLRBOMZCMRTO-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-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 N,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine?
The IUPAC name of N,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine (CID 64718531) is N,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine.
What is the SMILES notation for N,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine?
The canonical SMILES for N,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine is CNC(C)CC(C)CCCOCC(F)(F)F.
What is the InChIKey of N,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine?
The InChIKey is TYDLRBOMZCMRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-9(7-10(2)15-3)5-4-6-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of N,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine?
N,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine has a molecular weight of 241.30 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine is sourced from PubChem (CID 64718531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).