N-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C12H16F3N3 — CID 172957398

IUPACN-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESC/C(=N/N(C)c1ccc(C(F)(F)F)cn1)C(C)C
InChIInChI=1S/C12H16F3N3/c1-8(2)9(3)17-18(4)11-6-5-10(7-16-11)12(13,14)15/h5-8H,1-4H3/b17-9-
InChIKeyFLXJIEVIBARNEH-MFOYZWKCSA-N
MW259.28 g/mol
LogP3.57
Rot. Bonds3

About N-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 172957398) has the molecular formula C12H16F3N3 and a molecular weight of 259.28 g/mol. Its IUPAC name is N-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID172957398
Molecular FormulaC12H16F3N3
Molecular Weight259.28 g/mol
Exact Mass259.13
IUPAC NameN-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESC/C(=N/N(C)c1ccc(C(F)(F)F)cn1)C(C)C
InChIInChI=1S/C12H16F3N3/c1-8(2)9(3)17-18(4)11-6-5-10(7-16-11)12(13,14)15/h5-8H,1-4H3/b17-9-
InChIKeyFLXJIEVIBARNEH-MFOYZWKCSA-N
XLogP3.57
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(E)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 147524981
N-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 133276838
3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 61146387
N'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 62585853
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 60922080
4-N-methyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine
CID 79115562
2-[butan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 60839687
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
acetamide;N-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]formamide
CID 169111965
N'-hydroxy-3-[2-methylpropyl-[5-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
CID 76917211
N,N-dimethyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 177429162
amino-[5-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 174570503

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 172957398) is N-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine is C/C(=N/N(C)c1ccc(C(F)(F)F)cn1)C(C)C.
What is the InChIKey of N-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FLXJIEVIBARNEH-MFOYZWKCSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-8(2)9(3)17-18(4)11-6-5-10(7-16-11)12(13,14)15/h5-8H,1-4H3/b17-9-.
What are the key properties of N-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 259.28 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-3-methylbutan-2-ylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 172957398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).