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

C13H19F3N2O — CID 114489813

IUPAC(2-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESNC1CCCCC1C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)9-5-7-18(8-6-9)12(19)10-3-1-2-4-11(10)17/h5,10-11H,1-4,6-8,17H2
InChIKeyUSALXRPJWWAQIG-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.22
Rot. Bonds1

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

(2-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114489813) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is (2-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114489813
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name(2-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESNC1CCCCC1C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)9-5-7-18(8-6-9)12(19)10-3-1-2-4-11(10)17/h5,10-11H,1-4,6-8,17H2
InChIKeyUSALXRPJWWAQIG-UHFFFAOYSA-N
XLogP2.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.22
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-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 69921369
3-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclohexene-1-carboxamide
CID 70897200
(3S)-3-(aminomethyl)-5-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 104930316
[4-(aminomethyl)cyclohexyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 104963835
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107487071
4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide
CID 107487199
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107487201
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107487453
2-(aminomethyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 113591628
3-amino-3-cyclopropyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 113591642
4,4-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 113618277
3,3-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 114226523

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (2-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114489813) is (2-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (2-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (2-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is NC1CCCCC1C(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of (2-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is USALXRPJWWAQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c14-13(15,16)9-5-7-18(8-6-9)12(19)10-3-1-2-4-11(10)17/h5,10-11H,1-4,6-8,17H2.
What are the key properties of (2-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(2-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 276.30 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114489813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).