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

C11H17F3N2 — CID 114490207

IUPAC1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine
SMILESNC1(CN2CC=C(C(F)(F)F)CC2)CCC1
InChIInChI=1S/C11H17F3N2/c12-11(13,14)9-2-6-16(7-3-9)8-10(15)4-1-5-10/h2H,1,3-8,15H2
InChIKeyACTHNQNMFAXHKS-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.06
Rot. Bonds2

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

1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine (PubChem CID 114490207) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine
PubChem CID114490207
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine
SMILESNC1(CN2CC=C(C(F)(F)F)CC2)CCC1
InChIInChI=1S/C11H17F3N2/c12-11(13,14)9-2-6-16(7-3-9)8-10(15)4-1-5-10/h2H,1,3-8,15H2
InChIKeyACTHNQNMFAXHKS-UHFFFAOYSA-N
XLogP2.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.06
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

2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
CID 113591675
2-cyclopropyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 113591680
1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine
CID 113591694
N-ethyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 113591742
1,1,1-trifluoro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-3-amine
CID 114462448
2-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 114489667
2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
CID 114490095
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]cyclobutan-1-amine
CID 114490110
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-amine
CID 114490123
2-methyl-N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propan-2-amine
CID 114490131
N,2-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114490150

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine (CID 114490207) is 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine is NC1(CN2CC=C(C(F)(F)F)CC2)CCC1.
What is the InChIKey of 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine?
The InChIKey is ACTHNQNMFAXHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c12-11(13,14)9-2-6-16(7-3-9)8-10(15)4-1-5-10/h2H,1,3-8,15H2.
What are the key properties of 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine?
1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine has a molecular weight of 234.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 114490207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).