N-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclopentyl]methanamine

C11H20F3NO — CID 82791926

IUPACN-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclopentyl]methanamine
SMILESCNCC1(OCCCC(F)(F)F)CCCC1
InChIInChI=1S/C11H20F3NO/c1-15-9-10(5-2-3-6-10)16-8-4-7-11(12,13)14/h15H,2-9H2,1H3
InChIKeyCAPWUXSOKHHSQZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds6

About N-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclopentyl]methanamine

N-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclopentyl]methanamine (PubChem CID 82791926) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclopentyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclopentyl]methanamine
PubChem CID82791926
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclopentyl]methanamine
SMILESCNCC1(OCCCC(F)(F)F)CCCC1
InChIInChI=1S/C11H20F3NO/c1-15-9-10(5-2-3-6-10)16-8-4-7-11(12,13)14/h15H,2-9H2,1H3
InChIKeyCAPWUXSOKHHSQZ-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclopentyl]methanamine?
The IUPAC name of N-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclopentyl]methanamine (CID 82791926) is N-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclopentyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclopentyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclopentyl]methanamine is CNCC1(OCCCC(F)(F)F)CCCC1.
What is the InChIKey of N-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclopentyl]methanamine?
The InChIKey is CAPWUXSOKHHSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-15-9-10(5-2-3-6-10)16-8-4-7-11(12,13)14/h15H,2-9H2,1H3.
What are the key properties of N-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclopentyl]methanamine?
N-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclopentyl]methanamine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4,4,4-trifluorobutoxy)cyclopentyl]methanamine is sourced from PubChem (CID 82791926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).