6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride

C16H22ClNO2 — CID 3039685

IUPAC6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride
SMILESCCCCC1=Cc2cc3c(cc2C1N(C)C)OCO3.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-4-5-6-11-7-12-8-14-15(19-10-18-14)9-13(12)16(11)17(2)3;/h7-9,16H,4-6,10H2,1-3H3;1H
InChIKeyZHARNFSVAKKVFI-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.03
Rot. Bonds4

About 6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride

6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride (PubChem CID 3039685) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride.

Molecular Properties

Compound Name6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride
PubChem CID3039685
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride
SMILESCCCCC1=Cc2cc3c(cc2C1N(C)C)OCO3.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-4-5-6-11-7-12-8-14-15(19-10-18-14)9-13(12)16(11)17(2)3;/h7-9,16H,4-6,10H2,1-3H3;1H
InChIKeyZHARNFSVAKKVFI-UHFFFAOYSA-N
XLogP4.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride?
The IUPAC name of 6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride (CID 3039685) is 6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride.
What is the SMILES notation for 6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride?
The canonical SMILES for 6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride is CCCCC1=Cc2cc3c(cc2C1N(C)C)OCO3.Cl.
What is the InChIKey of 6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride?
The InChIKey is ZHARNFSVAKKVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.ClH/c1-4-5-6-11-7-12-8-14-15(19-10-18-14)9-13(12)16(11)17(2)3;/h7-9,16H,4-6,10H2,1-3H3;1H.
What are the key properties of 6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride?
6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-N,N-dimethyl-7H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride is sourced from PubChem (CID 3039685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).