N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine

C10H11F3N2 — CID 115691993

IUPACN-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine
SMILESC=CC(C)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H11F3N2/c1-3-7(2)15-9-5-4-8(6-14-9)10(11,12)13/h3-7H,1H2,2H3,(H,14,15)
InChIKeyKXKFHULRBYEGRS-UHFFFAOYSA-N
MW216.21 g/mol
LogP3.09
Rot. Bonds3

About N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine

N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 115691993) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID115691993
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC NameN-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine
SMILESC=CC(C)Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H11F3N2/c1-3-7(2)15-9-5-4-8(6-14-9)10(11,12)13/h3-7H,1H2,2H3,(H,14,15)
InChIKeyKXKFHULRBYEGRS-UHFFFAOYSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43084333
N-(6-methylheptan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63539653
N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 43399613
N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60703918
N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60869456
1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine
CID 61479974
N-[1-(3-fluorophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60631349
ethyl 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 61498811
N-but-3-en-2-yl-2-methyl-5-(trifluoromethyl)aniline
CID 107907236
[5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 1477642
4-[[[(2R)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]amino]methyl]-1H-pyrazole-5-carbaldehyde
CID 162600705
N-(1-chloro-4,4-dimethylpentan-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 106354398

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine (CID 115691993) is N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine is C=CC(C)Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KXKFHULRBYEGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-3-7(2)15-9-5-4-8(6-14-9)10(11,12)13/h3-7H,1H2,2H3,(H,14,15).
What are the key properties of N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine?
N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 216.21 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115691993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).