N-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine

C12H15F3N2 — CID 156720665

IUPACN-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine
SMILESCNC1CC(Cc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C12H15F3N2/c1-16-11-5-8(6-11)4-10-3-2-9(7-17-10)12(13,14)15/h2-3,7-8,11,16H,4-6H2,1H3
InChIKeyCJUDEFAKYBKBID-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.64
Rot. Bonds3

About N-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine

N-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine (PubChem CID 156720665) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is N-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine
PubChem CID156720665
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC NameN-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine
SMILESCNC1CC(Cc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C12H15F3N2/c1-16-11-5-8(6-11)4-10-3-2-9(7-17-10)12(13,14)15/h2-3,7-8,11,16H,4-6H2,1H3
InChIKeyCJUDEFAKYBKBID-UHFFFAOYSA-N
XLogP2.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
CID 73439156
(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 124977238
(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 124977237
3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 110131042
2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine
CID 118329262
N-tert-butyl-3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]methyl]cyclobutan-1-amine
CID 177124053
1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol
CID 63201095
1,1-dimethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 171822832
2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine
CID 133080561
3-(cyclohexylamino)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-one
CID 58374277
trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine
CID 46868842
N-(4-ethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 63540704

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine?
The IUPAC name of N-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine (CID 156720665) is N-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine.
What is the SMILES notation for N-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine?
The canonical SMILES for N-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine is CNC1CC(Cc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of N-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine?
The InChIKey is CJUDEFAKYBKBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-16-11-5-8(6-11)4-10-3-2-9(7-17-10)12(13,14)15/h2-3,7-8,11,16H,4-6H2,1H3.
What are the key properties of N-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine?
N-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine has a molecular weight of 244.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 156720665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).