N,N-dimethyl-1-(2-propan-2-yloxy-4b,5-dihydroindeno[2,1-a]inden-10-yl)propan-2-amine

C24H29NO — CID 129012321

IUPACN,N-dimethyl-1-(2-propan-2-yloxy-4b,5-dihydroindeno[2,1-a]inden-10-yl)propan-2-amine
SMILESCC(C)Oc1ccc2c(c1)C(CC(C)N(C)C)=C1c3ccccc3CC12
InChIInChI=1S/C24H29NO/c1-15(2)26-18-10-11-20-21(14-18)22(12-16(3)25(4)5)24-19-9-7-6-8-17(19)13-23(20)24/h6-11,14-16,23H,12-13H2,1-5H3
InChIKeyWLWFEYZLDFHAEB-UHFFFAOYSA-N
MW347.50 g/mol
LogP5.38
Rot. Bonds5

About N,N-dimethyl-1-(2-propan-2-yloxy-4b,5-dihydroindeno[2,1-a]inden-10-yl)propan-2-amine

N,N-dimethyl-1-(2-propan-2-yloxy-4b,5-dihydroindeno[2,1-a]inden-10-yl)propan-2-amine (PubChem CID 129012321) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-propan-2-yloxy-4b,5-dihydroindeno[2,1-a]inden-10-yl)propan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-propan-2-yloxy-4b,5-dihydroindeno[2,1-a]inden-10-yl)propan-2-amine
PubChem CID129012321
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC NameN,N-dimethyl-1-(2-propan-2-yloxy-4b,5-dihydroindeno[2,1-a]inden-10-yl)propan-2-amine
SMILESCC(C)Oc1ccc2c(c1)C(CC(C)N(C)C)=C1c3ccccc3CC12
InChIInChI=1S/C24H29NO/c1-15(2)26-18-10-11-20-21(14-18)22(12-16(3)25(4)5)24-19-9-7-6-8-17(19)13-23(20)24/h6-11,14-16,23H,12-13H2,1-5H3
InChIKeyWLWFEYZLDFHAEB-UHFFFAOYSA-N
XLogP5.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-propan-2-yloxy-4b,5-dihydroindeno[2,1-a]inden-10-yl)propan-2-amine?
The IUPAC name of N,N-dimethyl-1-(2-propan-2-yloxy-4b,5-dihydroindeno[2,1-a]inden-10-yl)propan-2-amine (CID 129012321) is N,N-dimethyl-1-(2-propan-2-yloxy-4b,5-dihydroindeno[2,1-a]inden-10-yl)propan-2-amine.
What is the SMILES notation for N,N-dimethyl-1-(2-propan-2-yloxy-4b,5-dihydroindeno[2,1-a]inden-10-yl)propan-2-amine?
The canonical SMILES for N,N-dimethyl-1-(2-propan-2-yloxy-4b,5-dihydroindeno[2,1-a]inden-10-yl)propan-2-amine is CC(C)Oc1ccc2c(c1)C(CC(C)N(C)C)=C1c3ccccc3CC12.
What is the InChIKey of N,N-dimethyl-1-(2-propan-2-yloxy-4b,5-dihydroindeno[2,1-a]inden-10-yl)propan-2-amine?
The InChIKey is WLWFEYZLDFHAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-15(2)26-18-10-11-20-21(14-18)22(12-16(3)25(4)5)24-19-9-7-6-8-17(19)13-23(20)24/h6-11,14-16,23H,12-13H2,1-5H3.
What are the key properties of N,N-dimethyl-1-(2-propan-2-yloxy-4b,5-dihydroindeno[2,1-a]inden-10-yl)propan-2-amine?
N,N-dimethyl-1-(2-propan-2-yloxy-4b,5-dihydroindeno[2,1-a]inden-10-yl)propan-2-amine has a molecular weight of 347.50 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-propan-2-yloxy-4b,5-dihydroindeno[2,1-a]inden-10-yl)propan-2-amine is sourced from PubChem (CID 129012321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).