1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C12H23F3N2 — CID 113448176

IUPAC1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CC(N)C1CCCC1)CC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-2-7-17(9-12(13,14)15)8-11(16)10-5-3-4-6-10/h10-11H,2-9,16H2,1H3
InChIKeyQCNBYYCVLLZRRX-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.78
Rot. Bonds6

About 1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 113448176) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID113448176
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CC(N)C1CCCC1)CC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-2-7-17(9-12(13,14)15)8-11(16)10-5-3-4-6-10/h10-11H,2-9,16H2,1H3
InChIKeyQCNBYYCVLLZRRX-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104745631
1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869689
1-(oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol
CID 104752605
1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropan-1-amine
CID 65458439
1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107520564
N,2-dimethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426117
2-cyclopropyl-2-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanamide
CID 63910739
1-cyclohexyl-4,4,4-trifluorobutan-1-amine
CID 64565147
N',1-dicyclopropyl-N'-propylethane-1,2-diamine
CID 63912333
N',1-dicyclopentyl-N'-ethylethane-1,2-diamine
CID 104744779
N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine
CID 104744720
(1R)-1-cyclobutyl-3,3,3-trifluoropropan-1-amine
CID 55293378

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 113448176) is 1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCCN(CC(N)C1CCCC1)CC(F)(F)F.
What is the InChIKey of 1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is QCNBYYCVLLZRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-2-7-17(9-12(13,14)15)8-11(16)10-5-3-4-6-10/h10-11H,2-9,16H2,1H3.
What are the key properties of 1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 113448176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).