(Z)-N-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]but-2-en-1-amine

C14H19F3N2 — CID 155154313

IUPAC(Z)-N-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]but-2-en-1-amine
SMILESC/C=C(/CNC(C)(C)C)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H19F3N2/c1-5-10(8-19-13(2,3)4)12-7-6-11(9-18-12)14(15,16)17/h5-7,9,19H,8H2,1-4H3/b10-5-
InChIKeyWWZWZCKJDJXVOL-YHYXMXQVSA-N
MW272.31 g/mol
LogP3.89
Rot. Bonds3

About (Z)-N-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]but-2-en-1-amine

(Z)-N-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]but-2-en-1-amine (PubChem CID 155154313) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (Z)-N-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]but-2-en-1-amine
PubChem CID155154313
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name(Z)-N-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]but-2-en-1-amine
SMILESC/C=C(/CNC(C)(C)C)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H19F3N2/c1-5-10(8-19-13(2,3)4)12-7-6-11(9-18-12)14(15,16)17/h5-7,9,19H,8H2,1-4H3/b10-5-
InChIKeyWWZWZCKJDJXVOL-YHYXMXQVSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,4Z)-6-[5-(trifluoromethyl)-2-pyridinyl]hepta-2,4,6-trien-3-ol
CID 155324545
N-[(E)-4-chlorobut-2-enyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909073
N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113265555
N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 79341054
N-tert-butyl-N'-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 62591788
2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
N-(2-methoxyethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113249806
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908464
1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
CID 114908428
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-one
CID 105129813
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908469

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]but-2-en-1-amine?
The IUPAC name of (Z)-N-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]but-2-en-1-amine (CID 155154313) is (Z)-N-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]but-2-en-1-amine.
What is the SMILES notation for (Z)-N-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]but-2-en-1-amine?
The canonical SMILES for (Z)-N-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]but-2-en-1-amine is C/C=C(/CNC(C)(C)C)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (Z)-N-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]but-2-en-1-amine?
The InChIKey is WWZWZCKJDJXVOL-YHYXMXQVSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-5-10(8-19-13(2,3)4)12-7-6-11(9-18-12)14(15,16)17/h5-7,9,19H,8H2,1-4H3/b10-5-.
What are the key properties of (Z)-N-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]but-2-en-1-amine?
(Z)-N-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]but-2-en-1-amine has a molecular weight of 272.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]but-2-en-1-amine is sourced from PubChem (CID 155154313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).