(3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine

C14H18F3N3O2 — CID 171558041

IUPAC(3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine
SMILESCC1(C)O[C@@H]2[C@@H](Nc3cccc(C(F)(F)F)n3)CNC[C@@H]2O1
InChIInChI=1S/C14H18F3N3O2/c1-13(2)21-9-7-18-6-8(12(9)22-13)19-11-5-3-4-10(20-11)14(15,16)17/h3-5,8-9,12,18H,6-7H2,1-2H3,(H,19,20)/t8-,9-,12+/m0/s1
InChIKeySSZSZCBUOXWKFK-HOTUBEGUSA-N
MW317.31 g/mol
LogP2.00
Rot. Bonds2

About (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine

(3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine (PubChem CID 171558041) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine.

Molecular Properties

Compound Name(3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine
PubChem CID171558041
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name(3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine
SMILESCC1(C)O[C@@H]2[C@@H](Nc3cccc(C(F)(F)F)n3)CNC[C@@H]2O1
InChIInChI=1S/C14H18F3N3O2/c1-13(2)21-9-7-18-6-8(12(9)22-13)19-11-5-3-4-10(20-11)14(15,16)17/h3-5,8-9,12,18H,6-7H2,1-2H3,(H,19,20)/t8-,9-,12+/m0/s1
InChIKeySSZSZCBUOXWKFK-HOTUBEGUSA-N
XLogP2.00
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-morpholin-4-yl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine
CID 97339267
N-(3-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyridin-2-amine
CID 61776839
N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 61778935
N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 61779331
2-(4-ethoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine
CID 67439064
N-methyl-2-(4-propan-2-yloxypiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 67439774
2-(4-butoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine
CID 67439775
Ethyl 4-(6-(trifluoromethyl)pyridin-2-yl)piperazine-2-carboxylate
CID 86680506
N-(2-methyl-2-morpholin-4-ylpropyl)-6-(trifluoromethyl)pyridin-2-amine
CID 91033575
2,2-diethoxy-N-[[5-fluoro-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methyl]ethanamine
CID 118162402
2,2-diethoxy-N-[[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-5-fluoro-2-pyridinyl]methyl]ethanamine
CID 118162404
N-[[6-[3-[(3R)-3,4-dimethylpiperazin-1-yl]azetidin-1-yl]-5-fluoro-2-pyridinyl]methyl]-2,2-diethoxyethanamine
CID 118162541

Frequently Asked Questions

What is the IUPAC name of (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine?
The IUPAC name of (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine (CID 171558041) is (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine.
What is the SMILES notation for (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine?
The canonical SMILES for (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine is CC1(C)O[C@@H]2[C@@H](Nc3cccc(C(F)(F)F)n3)CNC[C@@H]2O1.
What is the InChIKey of (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine?
The InChIKey is SSZSZCBUOXWKFK-HOTUBEGUSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-13(2)21-9-7-18-6-8(12(9)22-13)19-11-5-3-4-10(20-11)14(15,16)17/h3-5,8-9,12,18H,6-7H2,1-2H3,(H,19,20)/t8-,9-,12+/m0/s1.
What are the key properties of (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine?
(3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine has a molecular weight of 317.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7S,7aR)-2,2-dimethyl-N-[6-(trifluoromethyl)-2-pyridinyl]-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-amine is sourced from PubChem (CID 171558041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).