N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine

C13H25F3N2 — CID 62610305

IUPACN-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine
SMILESCCCN(CC1CCCC1NCC)CC(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-3-8-18(10-13(14,15)16)9-11-6-5-7-12(11)17-4-2/h11-12,17H,3-10H2,1-2H3
InChIKeyRMSHVBDIYCZERV-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds7

About N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine

N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine (PubChem CID 62610305) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine
PubChem CID62610305
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC NameN-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine
SMILESCCCN(CC1CCCC1NCC)CC(F)(F)F
InChIInChI=1S/C13H25F3N2/c1-3-8-18(10-13(14,15)16)9-11-6-5-7-12(11)17-4-2/h11-12,17H,3-10H2,1-2H3
InChIKeyRMSHVBDIYCZERV-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine (CID 62610305) is N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine is CCCN(CC1CCCC1NCC)CC(F)(F)F.
What is the InChIKey of N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine?
The InChIKey is RMSHVBDIYCZERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-3-8-18(10-13(14,15)16)9-11-6-5-7-12(11)17-4-2/h11-12,17H,3-10H2,1-2H3.
What are the key properties of N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine?
N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 62610305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).