N'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C13H18F3N3 — CID 66330875

IUPACN'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESNCCN(c1cc(C(F)(F)F)ccn1)C1CCCC1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)10-5-7-18-12(9-10)19(8-6-17)11-3-1-2-4-11/h5,7,9,11H,1-4,6,8,17H2
InChIKeyIBMQFFHGBHTXHY-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.81
Rot. Bonds4

About N'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

N'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 66330875) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID66330875
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESNCCN(c1cc(C(F)(F)F)ccn1)C1CCCC1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)10-5-7-18-12(9-10)19(8-6-17)11-3-1-2-4-11/h5,7,9,11H,1-4,6,8,17H2
InChIKeyIBMQFFHGBHTXHY-UHFFFAOYSA-N
XLogP2.81
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-aminoethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 66328118
N-cyclopropyl-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 106641229
ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate
CID 66329484
N'-[2-bromo-4-(trifluoromethyl)phenyl]-N'-cyclobutylethane-1,2-diamine
CID 102874661
2-[[4-(aminomethyl)-2-pyridinyl]-cyclohexylamino]ethanol
CID 54994992
N-(2-bromoethyl)-N-cyclobutyl-5-(trifluoromethyl)pyridin-2-amine
CID 102871511
2-cyclopentyl-4-(trifluoromethyl)pyridine
CID 144787930
N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 102874472
N'-cyclopentyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 62587639
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol
CID 102718042
N-(piperidin-2-ylmethyl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 106642582
N'-(7-chloroquinolin-4-yl)-N'-cyclopentylethane-1,2-diamine
CID 62586557

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 66330875) is N'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is NCCN(c1cc(C(F)(F)F)ccn1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is IBMQFFHGBHTXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c14-13(15,16)10-5-7-18-12(9-10)19(8-6-17)11-3-1-2-4-11/h5,7,9,11H,1-4,6,8,17H2.
What are the key properties of N'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
N'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 273.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 66330875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).