2-methyl-N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-2-amine

C15H25F3N2 — CID 114490754

IUPAC2-methyl-N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCC1N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2/c1-14(2,3)19-10-11-4-5-13(11)20-8-6-12(7-9-20)15(16,17)18/h6,11,13,19H,4-5,7-10H2,1-3H3
InChIKeyMCAJLLXPZZAYKH-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.35
Rot. Bonds3

About 2-methyl-N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-2-amine

2-methyl-N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-2-amine (PubChem CID 114490754) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-methyl-N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-2-amine
PubChem CID114490754
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name2-methyl-N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCC1N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2/c1-14(2,3)19-10-11-4-5-13(11)20-8-6-12(7-9-20)15(16,17)18/h6,11,13,19H,4-5,7-10H2,1-3H3
InChIKeyMCAJLLXPZZAYKH-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.35
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-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81000103
N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 80998969
3-(tert-butylamino)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114489807
N-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 114490704
N-[[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]ethanamine
CID 114413558
N-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine
CID 114490726
2-[ethyl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]-2-methylpropanoic acid
CID 114490393
4-amino-2,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 114285671
N-[[2-(3,3-dimethylmorpholin-4-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 80998456
N-[[2-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021961
(2S)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 130523166
N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 105411454

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-2-amine (CID 114490754) is 2-methyl-N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-2-amine is CC(C)(C)NCC1CCC1N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-2-amine?
The InChIKey is MCAJLLXPZZAYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2/c1-14(2,3)19-10-11-4-5-13(11)20-8-6-12(7-9-20)15(16,17)18/h6,11,13,19H,4-5,7-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-2-amine?
2-methyl-N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-2-amine has a molecular weight of 290.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 114490754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).