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

C11H19F3N2 — CID 79208422

IUPAC4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCCCN(CC1C=CC(N)C1)CC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-2-5-16(8-11(12,13)14)7-9-3-4-10(15)6-9/h3-4,9-10H,2,5-8,15H2,1H3
InChIKeySYGQVYNBPJPVQR-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.16
Rot. Bonds5

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

4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine (PubChem CID 79208422) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
PubChem CID79208422
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCCCN(CC1C=CC(N)C1)CC(F)(F)F
InChIInChI=1S/C11H19F3N2/c1-2-5-16(8-11(12,13)14)7-9-3-4-10(15)6-9/h3-4,9-10H,2,5-8,15H2,1H3
InChIKeySYGQVYNBPJPVQR-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine (CID 79208422) is 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine is CCCN(CC1C=CC(N)C1)CC(F)(F)F.
What is the InChIKey of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine?
The InChIKey is SYGQVYNBPJPVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-2-5-16(8-11(12,13)14)7-9-3-4-10(15)6-9/h3-4,9-10H,2,5-8,15H2,1H3.
What are the key properties of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine?
4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine has a molecular weight of 236.28 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79208422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).