1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine

C9H17F3N2 — CID 65458439

IUPAC1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine
SMILESCCCN(CC(F)(F)F)CC1(N)CC1
InChIInChI=1S/C9H17F3N2/c1-2-5-14(7-9(10,11)12)6-8(13)3-4-8/h2-7,13H2,1H3
InChIKeyWLEOVIVYMXEBCP-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.75
Rot. Bonds5

About 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine

1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine (PubChem CID 65458439) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine
PubChem CID65458439
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine
SMILESCCCN(CC(F)(F)F)CC1(N)CC1
InChIInChI=1S/C9H17F3N2/c1-2-5-14(7-9(10,11)12)6-8(13)3-4-8/h2-7,13H2,1H3
InChIKeyWLEOVIVYMXEBCP-UHFFFAOYSA-N
XLogP1.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine (CID 65458439) is 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine is CCCN(CC(F)(F)F)CC1(N)CC1.
What is the InChIKey of 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine?
The InChIKey is WLEOVIVYMXEBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-2-5-14(7-9(10,11)12)6-8(13)3-4-8/h2-7,13H2,1H3.
What are the key properties of 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine?
1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine has a molecular weight of 210.24 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 65458439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).