N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C11H16F3N3 — CID 55218815

IUPACN'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCC(C)N(CCN)c1ncccc1C(F)(F)F
InChIInChI=1S/C11H16F3N3/c1-8(2)17(7-5-15)10-9(11(12,13)14)4-3-6-16-10/h3-4,6,8H,5,7,15H2,1-2H3
InChIKeyFCXBLNQIIHRQLD-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.27
Rot. Bonds4

About N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 55218815) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID55218815
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC NameN'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCC(C)N(CCN)c1ncccc1C(F)(F)F
InChIInChI=1S/C11H16F3N3/c1-8(2)17(7-5-15)10-9(11(12,13)14)4-3-6-16-10/h3-4,6,8H,5,7,15H2,1-2H3
InChIKeyFCXBLNQIIHRQLD-UHFFFAOYSA-N
XLogP2.27
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62734529
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106618925
N,N-diamino-3-(trifluoromethyl)pyridin-2-amine
CID 68718217
2-[(3-fluoro-2-pyridinyl)-propan-2-ylamino]ethanol
CID 62733627
1-cyclopropyl-N-methyl-N-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 116653234
N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 106878743
N-[4-(aminomethyl)phenyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 62969577
N'-(5-bromoisoquinolin-1-yl)-N'-propan-2-ylethane-1,2-diamine
CID 106542301
3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 114057477
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 131017310
N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine
CID 114276414

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 55218815) is N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is CC(C)N(CCN)c1ncccc1C(F)(F)F.
What is the InChIKey of N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is FCXBLNQIIHRQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-8(2)17(7-5-15)10-9(11(12,13)14)4-3-6-16-10/h3-4,6,8H,5,7,15H2,1-2H3.
What are the key properties of N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 247.26 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 55218815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).