3-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine

C14H28F3NO — CID 62913824

IUPAC3-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCCCNC(C)C(CCCOCC(F)(F)F)C(C)C
InChIInChI=1S/C14H28F3NO/c1-5-8-18-12(4)13(11(2)3)7-6-9-19-10-14(15,16)17/h11-13,18H,5-10H2,1-4H3
InChIKeyMUOOPULTAWKJOY-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.01
Rot. Bonds10

About 3-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine

3-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine (PubChem CID 62913824) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
PubChem CID62913824
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name3-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCCCNC(C)C(CCCOCC(F)(F)F)C(C)C
InChIInChI=1S/C14H28F3NO/c1-5-8-18-12(4)13(11(2)3)7-6-9-19-10-14(15,16)17/h11-13,18H,5-10H2,1-4H3
InChIKeyMUOOPULTAWKJOY-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'}

Analyze 3-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-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

Related Compounds

3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine
CID 126619717
(3S)-4-methyl-N-(trifluoromethyl)oxepan-3-amine
CID 155030374
2-(Methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine
CID 163625319
N-(2-ethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435233
N-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748953
N-(3-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748956
N-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748971
N-(4-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748982
N-(2-methylpentan-3-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43791724
N-ethyl-2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961721
N-ethyl-2-methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961770
2-methyl-N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961771

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
The IUPAC name of 3-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine (CID 62913824) is 3-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine.
What is the SMILES notation for 3-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
The canonical SMILES for 3-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine is CCCNC(C)C(CCCOCC(F)(F)F)C(C)C.
What is the InChIKey of 3-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
The InChIKey is MUOOPULTAWKJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-5-8-18-12(4)13(11(2)3)7-6-9-19-10-14(15,16)17/h11-13,18H,5-10H2,1-4H3.
What are the key properties of 3-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
3-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-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 3-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine is sourced from PubChem (CID 62913824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).