N,N-dimethyl-1-[(1S,5S,6R,7R)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine

C18H24F3N3O — CID 154822269

IUPACN,N-dimethyl-1-[(1S,5S,6R,7R)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine
SMILESCc1cc(C(F)(F)F)cc(N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)n1
InChIInChI=1S/C18H24F3N3O/c1-11-6-12(18(19,20)21)7-16(22-11)24-9-14-13(8-23(2)3)15-4-5-17(14,10-24)25-15/h6-7,13-15H,4-5,8-10H2,1-3H3/t13-,14+,15+,17+/m0/s1
InChIKeyGJZNYQUUGTVKSM-KLZNWCGWSA-N
MW355.40 g/mol
LogP2.95
Rot. Bonds3

About N,N-dimethyl-1-[(1S,5S,6R,7R)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine

N,N-dimethyl-1-[(1S,5S,6R,7R)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine (PubChem CID 154822269) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[(1S,5S,6R,7R)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(1S,5S,6R,7R)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine
PubChem CID154822269
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC NameN,N-dimethyl-1-[(1S,5S,6R,7R)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine
SMILESCc1cc(C(F)(F)F)cc(N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)n1
InChIInChI=1S/C18H24F3N3O/c1-11-6-12(18(19,20)21)7-16(22-11)24-9-14-13(8-23(2)3)15-4-5-17(14,10-24)25-15/h6-7,13-15H,4-5,8-10H2,1-3H3/t13-,14+,15+,17+/m0/s1
InChIKeyGJZNYQUUGTVKSM-KLZNWCGWSA-N
XLogP2.95
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(1S,5S,6R,7R)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[(1S,5S,6R,7R)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine (CID 154822269) is N,N-dimethyl-1-[(1S,5S,6R,7R)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[(1S,5S,6R,7R)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[(1S,5S,6R,7R)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine is Cc1cc(C(F)(F)F)cc(N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)n1.
What is the InChIKey of N,N-dimethyl-1-[(1S,5S,6R,7R)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine?
The InChIKey is GJZNYQUUGTVKSM-KLZNWCGWSA-N. The full InChI is InChI=1S/C18H24F3N3O/c1-11-6-12(18(19,20)21)7-16(22-11)24-9-14-13(8-23(2)3)15-4-5-17(14,10-24)25-15/h6-7,13-15H,4-5,8-10H2,1-3H3/t13-,14+,15+,17+/m0/s1.
What are the key properties of N,N-dimethyl-1-[(1S,5S,6R,7R)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine?
N,N-dimethyl-1-[(1S,5S,6R,7R)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine has a molecular weight of 355.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(1S,5S,6R,7R)-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanamine is sourced from PubChem (CID 154822269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).