N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine

C15H29F3N2 — CID 62256373

IUPACN-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC(F)(F)F)CC1(CNCC(C)C)CCCC1
InChIInChI=1S/C15H29F3N2/c1-4-20(12-15(16,17)18)11-14(7-5-6-8-14)10-19-9-13(2)3/h13,19H,4-12H2,1-3H3
InChIKeyZMKHAQRZUNETCX-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.68
Rot. Bonds8

About N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine

N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine (PubChem CID 62256373) has the molecular formula C15H29F3N2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
PubChem CID62256373
Molecular FormulaC15H29F3N2
Molecular Weight294.40 g/mol
Exact Mass294.23
IUPAC NameN-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC(F)(F)F)CC1(CNCC(C)C)CCCC1
InChIInChI=1S/C15H29F3N2/c1-4-20(12-15(16,17)18)11-14(7-5-6-8-14)10-19-9-13(2)3/h13,19H,4-12H2,1-3H3
InChIKeyZMKHAQRZUNETCX-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine (CID 62256373) is N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine is CCN(CC(F)(F)F)CC1(CNCC(C)C)CCCC1.
What is the InChIKey of N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZMKHAQRZUNETCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-4-20(12-15(16,17)18)11-14(7-5-6-8-14)10-19-9-13(2)3/h13,19H,4-12H2,1-3H3.
What are the key properties of N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine?
N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine has a molecular weight of 294.40 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62256373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).