N-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine

C12H22F3NO — CID 103274392

IUPACN-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(OCCC(F)(F)F)CCC1
InChIInChI=1S/C12H22F3NO/c1-2-8-16-9-6-11(4-3-5-11)17-10-7-12(13,14)15/h16H,2-10H2,1H3
InChIKeyCURAWLNRQWBGQC-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.27
Rot. Bonds8

About N-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine

N-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine (PubChem CID 103274392) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine
PubChem CID103274392
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(OCCC(F)(F)F)CCC1
InChIInChI=1S/C12H22F3NO/c1-2-8-16-9-6-11(4-3-5-11)17-10-7-12(13,14)15/h16H,2-10H2,1H3
InChIKeyCURAWLNRQWBGQC-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-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-[2-(1-but-3-enoxycyclobutyl)ethyl]propan-1-amine
CID 103272997
2-(1-butoxycyclobutyl)-N-ethylethanamine
CID 103273334
2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine
CID 103273327
2-[1-(2-ethoxyethoxy)cyclobutyl]-N-ethylethanamine
CID 103273067
N-[2-[1-(2,2,2-trifluoroethoxy)cyclobutyl]ethyl]propan-2-amine
CID 103273035
N-[2-[1-(4-propoxyphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273824
N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
CID 82956772
2-[1-[2-(dimethylamino)ethoxy]cyclobutyl]-N-methylethanamine
CID 103273658
N-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine
CID 103274198
N-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclohexyl]methanamine
CID 82792025
N-[2-[1-(2-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273476
N-[2-[1-(3-tert-butylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273876

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine (CID 103274392) is N-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine is CCCNCCC1(OCCC(F)(F)F)CCC1.
What is the InChIKey of N-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine?
The InChIKey is CURAWLNRQWBGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-8-16-9-6-11(4-3-5-11)17-10-7-12(13,14)15/h16H,2-10H2,1H3.
What are the key properties of N-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine?
N-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine is sourced from PubChem (CID 103274392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).