(6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride

C16H24ClNO2 — CID 12950648

IUPAC(6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride
SMILESCCCC[C@@H]1Cc2cc3c(cc2[C@@H]1N(C)C)OCO3.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-4-5-6-11-7-12-8-14-15(19-10-18-14)9-13(12)16(11)17(2)3;/h8-9,11,16H,4-7,10H2,1-3H3;1H/t11-,16-;/m1./s1
InChIKeyDOUTUNBYAKTVMX-INXKOZGQSA-N
MW297.83 g/mol
LogP3.80
Rot. Bonds4

About (6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride

(6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride (PubChem CID 12950648) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is (6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride.

Molecular Properties

Compound Name(6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride
PubChem CID12950648
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name(6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride
SMILESCCCC[C@@H]1Cc2cc3c(cc2[C@@H]1N(C)C)OCO3.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-4-5-6-11-7-12-8-14-15(19-10-18-14)9-13(12)16(11)17(2)3;/h8-9,11,16H,4-7,10H2,1-3H3;1H/t11-,16-;/m1./s1
InChIKeyDOUTUNBYAKTVMX-INXKOZGQSA-N
XLogP3.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride 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 (6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride?
The IUPAC name of (6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride (CID 12950648) is (6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride.
What is the SMILES notation for (6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride?
The canonical SMILES for (6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride is CCCC[C@@H]1Cc2cc3c(cc2[C@@H]1N(C)C)OCO3.Cl.
What is the InChIKey of (6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride?
The InChIKey is DOUTUNBYAKTVMX-INXKOZGQSA-N. The full InChI is InChI=1S/C16H23NO2.ClH/c1-4-5-6-11-7-12-8-14-15(19-10-18-14)9-13(12)16(11)17(2)3;/h8-9,11,16H,4-7,10H2,1-3H3;1H/t11-,16-;/m1./s1.
What are the key properties of (6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride?
(6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride is sourced from PubChem (CID 12950648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).