6-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one

C14H23F3N2O — CID 114489791

IUPAC6-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one
SMILESCC(N)CCCC(C)C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O/c1-10(4-3-5-11(2)18)13(20)19-8-6-12(7-9-19)14(15,16)17/h6,10-11H,3-5,7-9,18H2,1-2H3
InChIKeyGWAJSTCUTLJRQR-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.86
Rot. Bonds5

About 6-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one

6-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one (PubChem CID 114489791) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one.

Molecular Properties

Compound Name6-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one
PubChem CID114489791
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name6-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one
SMILESCC(N)CCCC(C)C(=O)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O/c1-10(4-3-5-11(2)18)13(20)19-8-6-12(7-9-19)14(15,16)17/h6,10-11H,3-5,7-9,18H2,1-2H3
InChIKeyGWAJSTCUTLJRQR-UHFFFAOYSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.86
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

(2R)-2-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 104930309
(2S)-2-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 104930310
(3S)-3-(aminomethyl)-5-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 104930316
(2S)-2-amino-3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 104930320
[4-(aminomethyl)cyclohexyl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 104963835
(2-methylpiperidin-4-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 106740744
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
N-[(E)-pent-3-enyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 113236453
2-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 113591625
4-amino-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 113591627

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one?
The IUPAC name of 6-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one (CID 114489791) is 6-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one.
What is the SMILES notation for 6-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one?
The canonical SMILES for 6-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one is CC(N)CCCC(C)C(=O)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of 6-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one?
The InChIKey is GWAJSTCUTLJRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-10(4-3-5-11(2)18)13(20)19-8-6-12(7-9-19)14(15,16)17/h6,10-11H,3-5,7-9,18H2,1-2H3.
What are the key properties of 6-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one?
6-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one has a molecular weight of 292.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]heptan-1-one is sourced from PubChem (CID 114489791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).