2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine

C12H18F3N3 — CID 114151133

IUPAC2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine
SMILESCC(CN)CCCNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H18F3N3/c1-9(8-16)3-2-5-17-11-7-10(4-6-18-11)12(13,14)15/h4,6-7,9H,2-3,5,8,16H2,1H3,(H,17,18)
InChIKeyFGIREWANSQWQRD-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.89
Rot. Bonds6

About 2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine

2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine (PubChem CID 114151133) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine.

Molecular Properties

Compound Name2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine
PubChem CID114151133
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine
SMILESCC(CN)CCCNc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C12H18F3N3/c1-9(8-16)3-2-5-17-11-7-10(4-6-18-11)12(13,14)15/h4,6-7,9H,2-3,5,8,16H2,1H3,(H,17,18)
InChIKeyFGIREWANSQWQRD-UHFFFAOYSA-N
XLogP2.89
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.89
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

4-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 66329465
N-(3-chlorobutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330886
N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 115680860
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115715774
N'-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpentane-1,5-diamine
CID 106155250
N-(3-chloro-2-methylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66328524
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546
N-[2-(4-aminophenoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66328499
N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330850
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66331043

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine?
The IUPAC name of 2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine (CID 114151133) is 2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine.
What is the SMILES notation for 2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine?
The canonical SMILES for 2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine is CC(CN)CCCNc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine?
The InChIKey is FGIREWANSQWQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-9(8-16)3-2-5-17-11-7-10(4-6-18-11)12(13,14)15/h4,6-7,9H,2-3,5,8,16H2,1H3,(H,17,18).
What are the key properties of 2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine?
2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine has a molecular weight of 261.29 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine is sourced from PubChem (CID 114151133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).