[1-(aminomethyl)cyclopentyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C13H19F3N2O — CID 114489779

IUPAC[1-(aminomethyl)cyclopentyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESNCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCCC1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)10-3-7-18(8-4-10)11(19)12(9-17)5-1-2-6-12/h3H,1-2,4-9,17H2
InChIKeyKJWOPGYSYMKWGQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.23
Rot. Bonds2

About [1-(aminomethyl)cyclopentyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[1-(aminomethyl)cyclopentyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114489779) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114489779
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name[1-(aminomethyl)cyclopentyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESNCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCCC1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)10-3-7-18(8-4-10)11(19)12(9-17)5-1-2-6-12/h3H,1-2,4-9,17H2
InChIKeyKJWOPGYSYMKWGQ-UHFFFAOYSA-N
XLogP2.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.23
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

(3S)-3-(aminomethyl)-5-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 104930316
2-(aminomethyl)-4,4-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 107472806
2-(aminomethyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 113591628
[1-(aminomethyl)cyclobutyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113591629
3-amino-3-cyclopropyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 113591642
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 114459950
[1-(aminomethyl)-4-methylcyclohexyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489764
[1-(aminomethyl)cycloheptyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489765
3-amino-5,5-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 114489768
(3-ethylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489772
(2-aminocyclopentyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489774
3-amino-4,4-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 114489781

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114489779) is [1-(aminomethyl)cyclopentyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is NCC1(C(=O)N2CC=C(C(F)(F)F)CC2)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is KJWOPGYSYMKWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c14-13(15,16)10-3-7-18(8-4-10)11(19)12(9-17)5-1-2-6-12/h3H,1-2,4-9,17H2.
What are the key properties of [1-(aminomethyl)cyclopentyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[1-(aminomethyl)cyclopentyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 276.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114489779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).