N,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine

C12H24F3NO — CID 103148285

IUPACN,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine
SMILESCCCC(C)CC(CCOCC(F)(F)F)NC
InChIInChI=1S/C12H24F3NO/c1-4-5-10(2)8-11(16-3)6-7-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyAYNCGJGYONQWFW-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.37
Rot. Bonds9

About N,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine

N,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine (PubChem CID 103148285) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is N,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine
PubChem CID103148285
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC NameN,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine
SMILESCCCC(C)CC(CCOCC(F)(F)F)NC
InChIInChI=1S/C12H24F3NO/c1-4-5-10(2)8-11(16-3)6-7-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyAYNCGJGYONQWFW-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961820
N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961821
N-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961822
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961873
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962223
N-ethyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083057
N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083200
4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55083489
N,4-dimethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55084087
N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093564

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine?
The IUPAC name of N,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine (CID 103148285) is N,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine.
What is the SMILES notation for N,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine?
The canonical SMILES for N,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine is CCCC(C)CC(CCOCC(F)(F)F)NC.
What is the InChIKey of N,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine?
The InChIKey is AYNCGJGYONQWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-4-5-10(2)8-11(16-3)6-7-17-9-12(13,14)15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of N,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine?
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine has a molecular weight of 255.32 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(2,2,2-trifluoroethoxy)octan-3-amine is sourced from PubChem (CID 103148285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).