[(7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine;6-(trifluoromethyl)pyridin-2-amine

C15H22F3N3O3 — CID 171558049

IUPAC[(7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine;6-(trifluoromethyl)pyridin-2-amine
SMILESCC1(C)OC2C(CN)OCC[C@H]2O1.Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H17NO3.C6H5F3N2/c1-9(2)12-6-3-4-11-7(5-10)8(6)13-9;7-6(8,9)4-2-1-3-5(10)11-4/h6-8H,3-5,10H2,1-2H3;1-3H,(H2,10,11)/t6-,7?,8?;/m1./s1
InChIKeyCULMPRSIKZFGIC-PUFYQOQHSA-N
MW349.35 g/mol
LogP1.94
Rot. Bonds1

About [(7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine;6-(trifluoromethyl)pyridin-2-amine

[(7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine;6-(trifluoromethyl)pyridin-2-amine (PubChem CID 171558049) has the molecular formula C15H22F3N3O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is [(7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine;6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name[(7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine;6-(trifluoromethyl)pyridin-2-amine
PubChem CID171558049
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC Name[(7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine;6-(trifluoromethyl)pyridin-2-amine
SMILESCC1(C)OC2C(CN)OCC[C@H]2O1.Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H17NO3.C6H5F3N2/c1-9(2)12-6-3-4-11-7(5-10)8(6)13-9;7-6(8,9)4-2-1-3-5(10)11-4/h6-8H,3-5,10H2,1-2H3;1-3H,(H2,10,11)/t6-,7?,8?;/m1./s1
InChIKeyCULMPRSIKZFGIC-PUFYQOQHSA-N
XLogP1.94
TPSA92.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine;6-(trifluoromethyl)pyridin-2-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

N-[(3S,4R,5R,6R)-4,5-dibutoxy-6-(butoxymethyl)oxan-3-yl]-5-fluoro-6-(trifluoromethyl)pyridin-2-amine
CID 171399985
(2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171400168
N-[(3aS,4R,7S,7aR)-2,2-dimethyl-4-(pyrrolidin-1-ylmethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-6-(1,1-difluoroethyl)pyridin-2-amine
CID 171556707
N-[(3aS,4R,7S,7aR)-4-(aminomethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-3-fluoro-6-(trifluoromethyl)pyridin-2-amine
CID 171556817
2-(Hydroxymethyl)-1-methylpiperidine-3,4-diol;6-(trifluoromethyl)pyridin-2-amine
CID 171557321
(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
tert-butyl N-[[(3aS,4R,7S,7aR)-2,2-dimethyl-7-[[6-(trifluoromethyl)-2-pyridinyl]amino]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
CID 171558146
(2R,3R,4R,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171558171
(2R,3R,4R,5S)-2-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]oxane-3,4-diol
CID 171558293
[(3aR,4R,7S,7aR)-7-[[6-(1,1-difluoroethyl)-2-pyridinyl]amino]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanol
CID 171558317
N-[(3aS,4R,7S,7aR)-4-(azidomethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-3-fluoro-6-(trifluoromethyl)pyridin-2-amine
CID 171558430
tert-butyl N-[[(3aS,4R,7S,7aR)-7-[[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]amino]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl]carbamate
CID 171558840

Frequently Asked Questions

What is the IUPAC name of [(7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine;6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of [(7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine;6-(trifluoromethyl)pyridin-2-amine (CID 171558049) is [(7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine;6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for [(7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine;6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for [(7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine;6-(trifluoromethyl)pyridin-2-amine is CC1(C)OC2C(CN)OCC[C@H]2O1.Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of [(7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine;6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CULMPRSIKZFGIC-PUFYQOQHSA-N. The full InChI is InChI=1S/C9H17NO3.C6H5F3N2/c1-9(2)12-6-3-4-11-7(5-10)8(6)13-9;7-6(8,9)4-2-1-3-5(10)11-4/h6-8H,3-5,10H2,1-2H3;1-3H,(H2,10,11)/t6-,7?,8?;/m1./s1.
What are the key properties of [(7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine;6-(trifluoromethyl)pyridin-2-amine?
[(7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine;6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 349.35 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7aR)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methanamine;6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 171558049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).