[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine

C12H22F3NO — CID 65401877

IUPAC[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine
SMILESCC1CCC(CN)(CCCOCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-10-3-5-11(7-10,8-16)4-2-6-17-9-12(13,14)15/h10H,2-9,16H2,1H3
InChIKeyNWOAHGAXAYVLAG-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.11
Rot. Bonds6

About [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine

[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine (PubChem CID 65401877) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine
PubChem CID65401877
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine
SMILESCC1CCC(CN)(CCCOCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-10-3-5-11(7-10,8-16)4-2-6-17-9-12(13,14)15/h10H,2-9,16H2,1H3
InChIKeyNWOAHGAXAYVLAG-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.11
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 [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine?
The IUPAC name of [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine (CID 65401877) is [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine.
What is the SMILES notation for [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine?
The canonical SMILES for [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine is CC1CCC(CN)(CCCOCC(F)(F)F)C1.
What is the InChIKey of [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine?
The InChIKey is NWOAHGAXAYVLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10-3-5-11(7-10,8-16)4-2-6-17-9-12(13,14)15/h10H,2-9,16H2,1H3.
What are the key properties of [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine?
[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methanamine is sourced from PubChem (CID 65401877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).