N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine

C14H22F3N3 — CID 114908451

IUPACN'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine
SMILESCC(C)CNCCCNCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H22F3N3/c1-11(2)8-18-6-3-7-19-10-13-5-4-12(9-20-13)14(15,16)17/h4-5,9,11,18-19H,3,6-8,10H2,1-2H3
InChIKeyOJJRQSPBOPXFII-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.83
Rot. Bonds8

About N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine

N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine (PubChem CID 114908451) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine
PubChem CID114908451
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC NameN'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine
SMILESCC(C)CNCCCNCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H22F3N3/c1-11(2)8-18-6-3-7-19-10-13-5-4-12(9-20-13)14(15,16)17/h4-5,9,11,18-19H,3,6-8,10H2,1-2H3
InChIKeyOJJRQSPBOPXFII-UHFFFAOYSA-N
XLogP2.83
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]propan-1-amine
CID 55092132
cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 169111641
1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
CID 114908428
1,1-dimethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 171822832
3,5-dichloro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]butoxy]phenol
CID 70269952
1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
CID 114908431
1-methyl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethylsulfanyl]urea
CID 88819947
5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine
CID 166719325
N-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]propyl]-2-methylpropan-1-amine
CID 62578481
N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide
CID 171823264
N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62444619
(1R)-1-(5-chloro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 168750268

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine?
The IUPAC name of N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine (CID 114908451) is N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine is CC(C)CNCCCNCc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine?
The InChIKey is OJJRQSPBOPXFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-11(2)8-18-6-3-7-19-10-13-5-4-12(9-20-13)14(15,16)17/h4-5,9,11,18-19H,3,6-8,10H2,1-2H3.
What are the key properties of N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine?
N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine has a molecular weight of 289.34 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 114908451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).