(3aR)-N,3a-dimethyl-N-propan-2-yl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrol-6-amine

C16H24N2O — CID 143778869

IUPAC(3aR)-N,3a-dimethyl-N-propan-2-yl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrol-6-amine
SMILESCC(C)N(C)c1cccc2c1CO[C@@]1(C)CNCC21
InChIInChI=1S/C16H24N2O/c1-11(2)18(4)15-7-5-6-12-13(15)9-19-16(3)10-17-8-14(12)16/h5-7,11,14,17H,8-10H2,1-4H3/t14?,16-/m0/s1
InChIKeyGFWYXPSFYGFZTC-WMCAAGNKSA-N
MW260.38 g/mol
LogP2.51
Rot. Bonds2

About (3aR)-N,3a-dimethyl-N-propan-2-yl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrol-6-amine

(3aR)-N,3a-dimethyl-N-propan-2-yl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrol-6-amine (PubChem CID 143778869) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (3aR)-N,3a-dimethyl-N-propan-2-yl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrol-6-amine.

Molecular Properties

Compound Name(3aR)-N,3a-dimethyl-N-propan-2-yl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrol-6-amine
PubChem CID143778869
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(3aR)-N,3a-dimethyl-N-propan-2-yl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrol-6-amine
SMILESCC(C)N(C)c1cccc2c1CO[C@@]1(C)CNCC21
InChIInChI=1S/C16H24N2O/c1-11(2)18(4)15-7-5-6-12-13(15)9-19-16(3)10-17-8-14(12)16/h5-7,11,14,17H,8-10H2,1-4H3/t14?,16-/m0/s1
InChIKeyGFWYXPSFYGFZTC-WMCAAGNKSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR)-N,3a-dimethyl-N-propan-2-yl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrol-6-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR)-N,3a-dimethyl-N-propan-2-yl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrol-6-amine?
The IUPAC name of (3aR)-N,3a-dimethyl-N-propan-2-yl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrol-6-amine (CID 143778869) is (3aR)-N,3a-dimethyl-N-propan-2-yl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrol-6-amine.
What is the SMILES notation for (3aR)-N,3a-dimethyl-N-propan-2-yl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrol-6-amine?
The canonical SMILES for (3aR)-N,3a-dimethyl-N-propan-2-yl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrol-6-amine is CC(C)N(C)c1cccc2c1CO[C@@]1(C)CNCC21.
What is the InChIKey of (3aR)-N,3a-dimethyl-N-propan-2-yl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrol-6-amine?
The InChIKey is GFWYXPSFYGFZTC-WMCAAGNKSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)18(4)15-7-5-6-12-13(15)9-19-16(3)10-17-8-14(12)16/h5-7,11,14,17H,8-10H2,1-4H3/t14?,16-/m0/s1.
What are the key properties of (3aR)-N,3a-dimethyl-N-propan-2-yl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrol-6-amine?
(3aR)-N,3a-dimethyl-N-propan-2-yl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrol-6-amine has a molecular weight of 260.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-N,3a-dimethyl-N-propan-2-yl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrol-6-amine is sourced from PubChem (CID 143778869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).