N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine

C12H19F3N4 — CID 102720794

IUPACN-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)C(C)CNc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C12H19F3N4/c1-7(2)8(3)6-17-10-4-9(12(13,14)15)5-11(18-10)19-16/h4-5,7-8H,6,16H2,1-3H3,(H2,17,18,19)
InChIKeyCBNUZOMQIRLEBU-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.09
Rot. Bonds5

About N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine

N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720794) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720794
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC NameN-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)C(C)CNc1cc(C(F)(F)F)cc(NN)n1
InChIInChI=1S/C12H19F3N4/c1-7(2)8(3)6-17-10-4-9(12(13,14)15)5-11(18-10)19-16/h4-5,7-8H,6,16H2,1-3H3,(H2,17,18,19)
InChIKeyCBNUZOMQIRLEBU-UHFFFAOYSA-N
XLogP3.09
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-3-methoxypropan-2-ol
CID 102720773
N-(2,3-dimethoxypropyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 114102576
N-(2,3-dimethylbutyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80918315
6-hydrazinyl-N-(5-methylhexan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720760
N-hexyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720771
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol
CID 106358437
6-hydrazinyl-4-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)pyridin-2-amine
CID 102720633
N-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
CID 102721008
6-hydrazinyl-4-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine
CID 106434144
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 102720469
N-benzyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720987
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol
CID 106294581

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine (CID 102720794) is N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine is CC(C)C(C)CNc1cc(C(F)(F)F)cc(NN)n1.
What is the InChIKey of N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CBNUZOMQIRLEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-7(2)8(3)6-17-10-4-9(12(13,14)15)5-11(18-10)19-16/h4-5,7-8H,6,16H2,1-3H3,(H2,17,18,19).
What are the key properties of N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine?
N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 276.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).