N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine

C14H22F3N3 — CID 62282319

IUPACN-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine
SMILESCCCNCc1cc(N(CCC)CC(F)(F)F)ccn1
InChIInChI=1S/C14H22F3N3/c1-3-6-18-10-12-9-13(5-7-19-12)20(8-4-2)11-14(15,16)17/h5,7,9,18H,3-4,6,8,10-11H2,1-2H3
InChIKeyIVKAXZNBFWJLCG-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.36
Rot. Bonds8

About N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine

N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine (PubChem CID 62282319) has the molecular formula C14H22F3N3 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine
PubChem CID62282319
Molecular FormulaC14H22F3N3
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC NameN-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine
SMILESCCCNCc1cc(N(CCC)CC(F)(F)F)ccn1
InChIInChI=1S/C14H22F3N3/c1-3-6-18-10-12-9-13(5-7-19-12)20(8-4-2)11-14(15,16)17/h5,7,9,18H,3-4,6,8,10-11H2,1-2H3
InChIKeyIVKAXZNBFWJLCG-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.36
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-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine
CID 62286341
N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine
CID 55055011
N-ethyl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 55059635
N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine
CID 62292935
N-(cyclopropylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine
CID 55059107
N'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554005
N-[[4-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62289577
N'-hydroxy-4-[propyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboximidamide
CID 135965054
N-(cyclopentylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine
CID 63656716
N-cyclopropyl-N-(cyclopropylmethyl)-2-(propylaminomethyl)pyridin-4-amine
CID 64520477
N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
2-(ethylaminomethyl)-N,N-bis(2-methylpropyl)pyridin-4-amine
CID 62284205

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine?
The IUPAC name of N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine (CID 62282319) is N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine.
What is the SMILES notation for N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine?
The canonical SMILES for N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine is CCCNCc1cc(N(CCC)CC(F)(F)F)ccn1.
What is the InChIKey of N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine?
The InChIKey is IVKAXZNBFWJLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-3-6-18-10-12-9-13(5-7-19-12)20(8-4-2)11-14(15,16)17/h5,7,9,18H,3-4,6,8,10-11H2,1-2H3.
What are the key properties of N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine?
N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine has a molecular weight of 289.35 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-4-amine is sourced from PubChem (CID 62282319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).