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

C13H21F3N2 — CID 114490113

IUPAC[1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutyl]methanamine
SMILESNCC1(CCN2CC=C(C(F)(F)F)CC2)CCC1
InChIInChI=1S/C13H21F3N2/c14-13(15,16)11-2-7-18(8-3-11)9-6-12(10-17)4-1-5-12/h2H,1,3-10,17H2
InChIKeyRCMPRUBFQAOLCE-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.70
Rot. Bonds4

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

[1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutyl]methanamine (PubChem CID 114490113) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is [1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutyl]methanamine
PubChem CID114490113
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name[1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutyl]methanamine
SMILESNCC1(CCN2CC=C(C(F)(F)F)CC2)CCC1
InChIInChI=1S/C13H21F3N2/c14-13(15,16)11-2-7-18(8-3-11)9-6-12(10-17)4-1-5-12/h2H,1,3-10,17H2
InChIKeyRCMPRUBFQAOLCE-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.70
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-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366474
2,2-dimethyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 106708249
4,4-dimethyl-2-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pentan-1-amine
CID 107473680
2-[1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopropyl]ethanamine
CID 113591611
6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113591674
3-methyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113591691
2,2-dimethyl-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 114489687
2,2-dimethyl-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 114489702
[1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
CID 114490098
1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutan-1-amine
CID 114490110
1-[(3-ethylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490127
3,3-dimethyl-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 114490154

Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutyl]methanamine (CID 114490113) is [1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutyl]methanamine is NCC1(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]cyclobutyl]methanamine?
The InChIKey is RCMPRUBFQAOLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2/c14-13(15,16)11-2-7-18(8-3-11)9-6-12(10-17)4-1-5-12/h2H,1,3-10,17H2.
What are the key properties of [1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutyl]methanamine?
[1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclobutyl]methanamine has a molecular weight of 262.32 g/mol, XLogP of 2.70, 4 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]cyclobutyl]methanamine is sourced from PubChem (CID 114490113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).