(10bS)-2,6-dimethyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine

C14H20N2 — CID 67470311

IUPAC(10bS)-2,6-dimethyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine
SMILESCC1CCCC2C(C)C=C3C=NC=C3[C@H]2N1
InChIInChI=1S/C14H20N2/c1-9-6-11-7-15-8-13(11)14-12(9)5-3-4-10(2)16-14/h6-10,12,14,16H,3-5H2,1-2H3/t9?,10?,12?,14-/m0/s1
InChIKeyKRMCURKOSZNKJD-FGFFJQAFSA-N
MW216.33 g/mol
LogP2.68
Rot. Bonds

About (10bS)-2,6-dimethyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine

(10bS)-2,6-dimethyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine (PubChem CID 67470311) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (10bS)-2,6-dimethyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine.

Molecular Properties

Compound Name(10bS)-2,6-dimethyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine
PubChem CID67470311
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(10bS)-2,6-dimethyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine
SMILESCC1CCCC2C(C)C=C3C=NC=C3[C@H]2N1
InChIInChI=1S/C14H20N2/c1-9-6-11-7-15-8-13(11)14-12(9)5-3-4-10(2)16-14/h6-10,12,14,16H,3-5H2,1-2H3/t9?,10?,12?,14-/m0/s1
InChIKeyKRMCURKOSZNKJD-FGFFJQAFSA-N
XLogP2.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (10bS)-2,6-dimethyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine with MolForge

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Related Compounds

(5aR,10bS)-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine
CID 67470351
(10bS)-7-chloro-6-methyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine
CID 67470975
9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
CID 69227915
2,3,4,4a,5,9a-hexahydro-1H-pyrrolo[3,4-g]quinoline
CID 70438313
1,2,3,4,5,5a,6,10b-Octahydropyrrolo[3,4-i][1]benzazepine
CID 77297939
(10bS)-9-chloro-2,6-dimethyl-2,3,4,5,5a,6,8,10b-octahydro-1H-pyrrolo[3,4-i][1]benzazepine
CID 87411678

Frequently Asked Questions

What is the IUPAC name of (10bS)-2,6-dimethyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine?
The IUPAC name of (10bS)-2,6-dimethyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine (CID 67470311) is (10bS)-2,6-dimethyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine.
What is the SMILES notation for (10bS)-2,6-dimethyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine?
The canonical SMILES for (10bS)-2,6-dimethyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine is CC1CCCC2C(C)C=C3C=NC=C3[C@H]2N1.
What is the InChIKey of (10bS)-2,6-dimethyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine?
The InChIKey is KRMCURKOSZNKJD-FGFFJQAFSA-N. The full InChI is InChI=1S/C14H20N2/c1-9-6-11-7-15-8-13(11)14-12(9)5-3-4-10(2)16-14/h6-10,12,14,16H,3-5H2,1-2H3/t9?,10?,12?,14-/m0/s1.
What are the key properties of (10bS)-2,6-dimethyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine?
(10bS)-2,6-dimethyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine has a molecular weight of 216.33 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bS)-2,6-dimethyl-1,2,3,4,5,5a,6,10b-octahydropyrrolo[3,4-i][1]benzazepine is sourced from PubChem (CID 67470311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).