1-cyclobutyl-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine

C15H21F3N2 — CID 177368110

IUPAC1-cyclobutyl-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
SMILESCC(C)c1nc(CNCC2CCC2)ccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-10(2)14-13(15(16,17)18)7-6-12(20-14)9-19-8-11-4-3-5-11/h6-7,10-11,19H,3-5,8-9H2,1-2H3
InChIKeyQKINUUOGVAMINQ-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.11
Rot. Bonds5

About 1-cyclobutyl-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine

1-cyclobutyl-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine (PubChem CID 177368110) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-cyclobutyl-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
PubChem CID177368110
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name1-cyclobutyl-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine
SMILESCC(C)c1nc(CNCC2CCC2)ccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2/c1-10(2)14-13(15(16,17)18)7-6-12(20-14)9-19-8-11-4-3-5-11/h6-7,10-11,19H,3-5,8-9H2,1-2H3
InChIKeyQKINUUOGVAMINQ-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine?
The IUPAC name of 1-cyclobutyl-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine (CID 177368110) is 1-cyclobutyl-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-cyclobutyl-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-cyclobutyl-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine is CC(C)c1nc(CNCC2CCC2)ccc1C(F)(F)F.
What is the InChIKey of 1-cyclobutyl-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine?
The InChIKey is QKINUUOGVAMINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-10(2)14-13(15(16,17)18)7-6-12(20-14)9-19-8-11-4-3-5-11/h6-7,10-11,19H,3-5,8-9H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine?
1-cyclobutyl-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine has a molecular weight of 286.34 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[[6-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]methyl]methanamine is sourced from PubChem (CID 177368110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).