4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine

C10H15F3N2 — CID 106219137

IUPAC4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CNC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C10H15F3N2/c11-10(12,13)9(3-4-9)15-6-7-1-2-8(14)5-7/h1-2,7-8,15H,3-6,14H2
InChIKeyOKOXBKPUDJANNQ-UHFFFAOYSA-N
MW220.24 g/mol
LogP1.57
Rot. Bonds3

About 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine

4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine (PubChem CID 106219137) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine
PubChem CID106219137
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CNC2(C(F)(F)F)CC2)C1
InChIInChI=1S/C10H15F3N2/c11-10(12,13)9(3-4-9)15-6-7-1-2-8(14)5-7/h1-2,7-8,15H,3-6,14H2
InChIKeyOKOXBKPUDJANNQ-UHFFFAOYSA-N
XLogP1.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine with MolForge

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Related Compounds

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(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
CID 79207359
4-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopent-2-en-1-amine
CID 79208146
4-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
CID 79208228
4-[(3,3,3-Trifluoropropylamino)methyl]cyclopent-2-en-1-amine
CID 79208235
4-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
CID 79208421
4-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
CID 79208422
4-[(4,4,4-Trifluorobutan-2-ylamino)methyl]cyclopent-2-en-1-amine
CID 105946194
N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210364
N-[1-(trifluoromethyl)cyclopropyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 106210392
N-[1-(trifluoromethyl)cyclopropyl]cyclohex-2-en-1-amine
CID 106212502

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine (CID 106219137) is 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine is NC1C=CC(CNC2(C(F)(F)F)CC2)C1.
What is the InChIKey of 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine?
The InChIKey is OKOXBKPUDJANNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c11-10(12,13)9(3-4-9)15-6-7-1-2-8(14)5-7/h1-2,7-8,15H,3-6,14H2.
What are the key properties of 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine?
4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine has a molecular weight of 220.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 106219137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).