6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine

C14H28F3NO — CID 103148699

IUPAC6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCCCNC(CCOCC(F)(F)F)CCC(C)(C)C
InChIInChI=1S/C14H28F3NO/c1-5-9-18-12(6-8-13(2,3)4)7-10-19-11-14(15,16)17/h12,18H,5-11H2,1-4H3
InChIKeyMOUBPDACZBAPCA-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.15
Rot. Bonds9

About 6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine

6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (PubChem CID 103148699) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is 6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.

Molecular Properties

Compound Name6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
PubChem CID103148699
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCCCNC(CCOCC(F)(F)F)CCC(C)(C)C
InChIInChI=1S/C14H28F3NO/c1-5-9-18-12(6-8-13(2,3)4)7-10-19-11-14(15,16)17/h12,18H,5-11H2,1-4H3
InChIKeyMOUBPDACZBAPCA-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-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

2,2,8,8-tetramethyl-N-propylnonan-5-amine
CID 173351827
N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine
CID 105140017
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148516
1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62320759
N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103214890
N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine
CID 79954629
1-(5-bromo-3-pyridinyl)-N-propyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148756
N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine
CID 82955623
1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine
CID 115849970
3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83139215
6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 103148773
1-N,1-N,5,5-tetramethyl-2-N-propylhexane-1,2-diamine
CID 79088484

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The IUPAC name of 6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (CID 103148699) is 6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.
What is the SMILES notation for 6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The canonical SMILES for 6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is CCCNC(CCOCC(F)(F)F)CCC(C)(C)C.
What is the InChIKey of 6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The InChIKey is MOUBPDACZBAPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-5-9-18-12(6-8-13(2,3)4)7-10-19-11-14(15,16)17/h12,18H,5-11H2,1-4H3.
What are the key properties of 6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine has a molecular weight of 283.38 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is sourced from PubChem (CID 103148699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).