1-cyclopentyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

C12H22F3NO — CID 103148290

IUPAC1-cyclopentyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCNC(CCOCC(F)(F)F)CC1CCCC1
InChIInChI=1S/C12H22F3NO/c1-16-11(8-10-4-2-3-5-10)6-7-17-9-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyALBLNPIJUSLTHS-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds7

About 1-cyclopentyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

1-cyclopentyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 103148290) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID103148290
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-cyclopentyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCNC(CCOCC(F)(F)F)CC1CCCC1
InChIInChI=1S/C12H22F3NO/c1-16-11(8-10-4-2-3-5-10)6-7-17-9-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyALBLNPIJUSLTHS-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
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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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-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-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-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093564
N-methyl-1-(3-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094199
1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of 1-cyclopentyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine (CID 103148290) is 1-cyclopentyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for 1-cyclopentyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine is CNC(CCOCC(F)(F)F)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is ALBLNPIJUSLTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-16-11(8-10-4-2-3-5-10)6-7-17-9-12(13,14)15/h10-11,16H,2-9H2,1H3.
What are the key properties of 1-cyclopentyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
1-cyclopentyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 103148290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).