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

C14H21F3N2O — CID 114489914

IUPAC(2-aminocycloheptyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESNC1CCCCCC1C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)10-6-8-19(9-7-10)13(20)11-4-2-1-3-5-12(11)18/h6,11-12H,1-5,7-9,18H2
InChIKeyWLEWXNMJGCMZJR-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.62
Rot. Bonds1

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

(2-aminocycloheptyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114489914) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is (2-aminocycloheptyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114489914
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name(2-aminocycloheptyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESNC1CCCCCC1C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)10-6-8-19(9-7-10)13(20)11-4-2-1-3-5-12(11)18/h6,11-12H,1-5,7-9,18H2
InChIKeyWLEWXNMJGCMZJR-UHFFFAOYSA-N
XLogP2.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.62
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

[4-(aminomethyl)cyclohexyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 104963835
3-amino-3-cyclopropyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 113591642
[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-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 114489766
3-amino-5,5-dimethyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 114489768
(2-aminocyclopentyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489774
6-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one
CID 114489791
(2-aminocyclohexyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489813
[1-(aminomethyl)cyclohexyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489827
3-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 114489829
6-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 114489843

Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (2-aminocycloheptyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114489914) is (2-aminocycloheptyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (2-aminocycloheptyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (2-aminocycloheptyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is NC1CCCCCC1C(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of (2-aminocycloheptyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is WLEWXNMJGCMZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c15-14(16,17)10-6-8-19(9-7-10)13(20)11-4-2-1-3-5-12(11)18/h6,11-12H,1-5,7-9,18H2.
What are the key properties of (2-aminocycloheptyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(2-aminocycloheptyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 290.33 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114489914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).