4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine

C9H15F3N2 — CID 79207359

IUPAC4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCN(CC1C=CC(N)C1)CC(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-14(6-9(10,11)12)5-7-2-3-8(13)4-7/h2-3,7-8H,4-6,13H2,1H3
InChIKeyKWLNDNQUEGBXPX-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.38
Rot. Bonds3

About 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine

4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine (PubChem CID 79207359) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
PubChem CID79207359
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCN(CC1C=CC(N)C1)CC(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-14(6-9(10,11)12)5-7-2-3-8(13)4-7/h2-3,7-8H,4-6,13H2,1H3
InChIKeyKWLNDNQUEGBXPX-UHFFFAOYSA-N
XLogP1.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(2-fluoropropyl)-1-N,1-N-dimethylhex-2-ene-1,5-diamine
CID 89176341
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
4-Propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 118697089
(E)-1,1,1-trifluoro-8-methyl-N-propan-2-ylnon-5-en-2-amine
CID 132061406
(Z)-1,1,1-trifluoro-8-methyl-N-propan-2-ylnon-5-en-2-amine
CID 132061415
N-(cyclopent-2-en-1-ylmethyl)-3-fluorobutan-2-amine
CID 134201178
(Z)-5-methyl-N-(4,4,4-trifluorobutyl)oct-6-en-4-amine
CID 163831978
(Z)-5-fluoro-N,N'-dimethyl-N'-(2-methylpentyl)hept-2-ene-1,7-diamine
CID 169880743
4-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
CID 79206988
4-[(2,2,2-Trifluoroethylamino)methyl]cyclopent-2-en-1-amine
CID 79207080
4-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopent-2-en-1-amine
CID 79208146
4-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]cyclopent-2-en-1-amine
CID 79208147

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine (CID 79207359) is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine is CN(CC1C=CC(N)C1)CC(F)(F)F.
What is the InChIKey of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine?
The InChIKey is KWLNDNQUEGBXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-14(6-9(10,11)12)5-7-2-3-8(13)4-7/h2-3,7-8H,4-6,13H2,1H3.
What are the key properties of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine?
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine has a molecular weight of 208.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79207359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).