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

C13H20F3N3 — CID 62554005

IUPACN'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CCNCc1ccccn1)CC(F)(F)F
InChIInChI=1S/C13H20F3N3/c1-2-8-19(11-13(14,15)16)9-7-17-10-12-5-3-4-6-18-12/h3-6,17H,2,7-11H2,1H3
InChIKeyQEUVSMXBBRXMPA-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.45
Rot. Bonds8

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

N'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62554005) has the molecular formula C13H20F3N3 and a molecular weight of 275.32 g/mol. Its IUPAC name is N'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62554005
Molecular FormulaC13H20F3N3
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC NameN'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CCNCc1ccccn1)CC(F)(F)F
InChIInChI=1S/C13H20F3N3/c1-2-8-19(11-13(14,15)16)9-7-17-10-12-5-3-4-6-18-12/h3-6,17H,2,7-11H2,1H3
InChIKeyQEUVSMXBBRXMPA-UHFFFAOYSA-N
XLogP2.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 55089689
N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 102390835
N'-ethyl-N,N-dimethyl-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102997784
4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine
CID 79039082
N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102283031
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
N-[(5-methylthiophen-2-yl)methyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62556138
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 106906050
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 62282319
N'-ethyl-N'-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62557722
N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 101492526

Frequently Asked Questions

What is the IUPAC name of N'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62554005) is N'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCCN(CCNCc1ccccn1)CC(F)(F)F.
What is the InChIKey of N'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is QEUVSMXBBRXMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3/c1-2-8-19(11-13(14,15)16)9-7-17-10-12-5-3-4-6-18-12/h3-6,17H,2,7-11H2,1H3.
What are the key properties of N'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 275.32 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62554005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).