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

C15H20F3N3O2 — CID 171558184

IUPAC(3aS,7S,7aR)-2,2,5-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine
SMILESCN1C[C@H](Nc2ccc(C(F)(F)F)cn2)[C@H]2OC(C)(C)O[C@H]2C1
InChIInChI=1S/C15H20F3N3O2/c1-14(2)22-11-8-21(3)7-10(13(11)23-14)20-12-5-4-9(6-19-12)15(16,17)18/h4-6,10-11,13H,7-8H2,1-3H3,(H,19,20)/t10-,11-,13+/m0/s1
InChIKeyRWKKHYIVSSODSN-GMXVVIOVSA-N
MW331.34 g/mol
LogP2.35
Rot. Bonds2

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

(3aS,7S,7aR)-2,2,5-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine (PubChem CID 171558184) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is (3aS,7S,7aR)-2,2,5-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine.

Molecular Properties

Compound Name(3aS,7S,7aR)-2,2,5-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine
PubChem CID171558184
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name(3aS,7S,7aR)-2,2,5-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine
SMILESCN1C[C@H](Nc2ccc(C(F)(F)F)cn2)[C@H]2OC(C)(C)O[C@H]2C1
InChIInChI=1S/C15H20F3N3O2/c1-14(2)22-11-8-21(3)7-10(13(11)23-14)20-12-5-4-9(6-19-12)15(16,17)18/h4-6,10-11,13H,7-8H2,1-3H3,(H,19,20)/t10-,11-,13+/m0/s1
InChIKeyRWKKHYIVSSODSN-GMXVVIOVSA-N
XLogP2.35
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

4-[[1-[5-(Trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]oxan-3-ol
CID 156021463
[1-[5-(Trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487397
N-[2-(4-morpholinyl)ethyl]-5-(trifluoromethyl)-2-pyridinamine
CID 2990720
N-[2,2-dimethyl-3-(4-morpholinyl)propyl]-1-[5-(trifluoromethyl)-2-pyridinyl]-3-piperidinamine
CID 45223321
1-(2-Methoxyethyl)-3-(1-(5-(trifluoromethyl)pyridin-2-yl)pyrrolidin-3-yl)urea
CID 76148974
2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine
CID 97316677
6-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 122132603
N-[5-[[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]methyl]-2-pyridinyl]acetamide
CID 136585320
(2S)-3-(1,3-dioxolan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 164636259
[4-[5-(Trifluoromethyl)pyridin-2-yl]morpholin-2-yl]methanamine
CID 61336427
(r)-4-(5-Trifluoromethyl-pyridin-2-yl)-piperazine-2-carboxylic acid methyl ester
CID 67045817
Methyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylate
CID 67045820

Frequently Asked Questions

What is the IUPAC name of (3aS,7S,7aR)-2,2,5-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine?
The IUPAC name of (3aS,7S,7aR)-2,2,5-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine (CID 171558184) is (3aS,7S,7aR)-2,2,5-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine.
What is the SMILES notation for (3aS,7S,7aR)-2,2,5-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine?
The canonical SMILES for (3aS,7S,7aR)-2,2,5-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine is CN1C[C@H](Nc2ccc(C(F)(F)F)cn2)[C@H]2OC(C)(C)O[C@H]2C1.
What is the InChIKey of (3aS,7S,7aR)-2,2,5-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine?
The InChIKey is RWKKHYIVSSODSN-GMXVVIOVSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-14(2)22-11-8-21(3)7-10(13(11)23-14)20-12-5-4-9(6-19-12)15(16,17)18/h4-6,10-11,13H,7-8H2,1-3H3,(H,19,20)/t10-,11-,13+/m0/s1.
What are the key properties of (3aS,7S,7aR)-2,2,5-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine?
(3aS,7S,7aR)-2,2,5-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine has a molecular weight of 331.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7S,7aR)-2,2,5-trimethyl-N-[5-(trifluoromethyl)-2-pyridinyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine is sourced from PubChem (CID 171558184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).