1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine

C12H19F3N2 — CID 114490110

IUPAC1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine
SMILESNC1(CCN2CC=C(C(F)(F)F)CC2)CCC1
InChIInChI=1S/C12H19F3N2/c13-12(14,15)10-2-7-17(8-3-10)9-6-11(16)4-1-5-11/h2H,1,3-9,16H2
InChIKeyKVUGAPSTGRHVHZ-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.45
Rot. Bonds3

About 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine

1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine (PubChem CID 114490110) has the molecular formula C12H19F3N2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine
PubChem CID114490110
Molecular FormulaC12H19F3N2
Molecular Weight248.29 g/mol
Exact Mass248.15
IUPAC Name1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine
SMILESNC1(CCN2CC=C(C(F)(F)F)CC2)CCC1
InChIInChI=1S/C12H19F3N2/c13-12(14,15)10-2-7-17(8-3-10)9-6-11(16)4-1-5-11/h2H,1,3-9,16H2
InChIKeyKVUGAPSTGRHVHZ-UHFFFAOYSA-N
XLogP2.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.45
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

6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113591674
1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopentan-1-amine
CID 113591693
1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine
CID 113591694
2-methyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
CID 114490106
[1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutyl]methanamine
CID 114490113
3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-3-amine
CID 114490160
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-3-amine
CID 114490163
1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine
CID 114490207
2-methyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
CID 114490226
1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclohexan-1-amine
CID 114490254
N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methanamine
CID 114490642
N-[[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]cyclobutyl]methyl]propan-1-amine
CID 114490643

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine (CID 114490110) is 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine is NC1(CCN2CC=C(C(F)(F)F)CC2)CCC1.
What is the InChIKey of 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine?
The InChIKey is KVUGAPSTGRHVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2/c13-12(14,15)10-2-7-17(8-3-10)9-6-11(16)4-1-5-11/h2H,1,3-9,16H2.
What are the key properties of 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine?
1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine has a molecular weight of 248.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 114490110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).