6-(1-methoxyethenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;propan-2-yl formate

C17H25NO3 — CID 143036214

IUPAC6-(1-methoxyethenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;propan-2-yl formate
SMILESC=C(OC)c1cc2c(cc1NC)CCC2.CC(C)OC=O
InChIInChI=1S/C13H17NO.C4H8O2/c1-9(15-3)12-7-10-5-4-6-11(10)8-13(12)14-2;1-4(2)6-3-5/h7-8,14H,1,4-6H2,2-3H3;3-4H,1-2H3
InChIKeyPYDPOVLKPPJHNW-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.40
Rot. Bonds5

About 6-(1-methoxyethenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;propan-2-yl formate

6-(1-methoxyethenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;propan-2-yl formate (PubChem CID 143036214) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 6-(1-methoxyethenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;propan-2-yl formate.

Molecular Properties

Compound Name6-(1-methoxyethenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;propan-2-yl formate
PubChem CID143036214
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name6-(1-methoxyethenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;propan-2-yl formate
SMILESC=C(OC)c1cc2c(cc1NC)CCC2.CC(C)OC=O
InChIInChI=1S/C13H17NO.C4H8O2/c1-9(15-3)12-7-10-5-4-6-11(10)8-13(12)14-2;1-4(2)6-3-5/h7-8,14H,1,4-6H2,2-3H3;3-4H,1-2H3
InChIKeyPYDPOVLKPPJHNW-UHFFFAOYSA-N
XLogP3.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxyethenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;propan-2-yl formate?
The IUPAC name of 6-(1-methoxyethenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;propan-2-yl formate (CID 143036214) is 6-(1-methoxyethenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;propan-2-yl formate.
What is the SMILES notation for 6-(1-methoxyethenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;propan-2-yl formate?
The canonical SMILES for 6-(1-methoxyethenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;propan-2-yl formate is C=C(OC)c1cc2c(cc1NC)CCC2.CC(C)OC=O.
What is the InChIKey of 6-(1-methoxyethenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;propan-2-yl formate?
The InChIKey is PYDPOVLKPPJHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C4H8O2/c1-9(15-3)12-7-10-5-4-6-11(10)8-13(12)14-2;1-4(2)6-3-5/h7-8,14H,1,4-6H2,2-3H3;3-4H,1-2H3.
What are the key properties of 6-(1-methoxyethenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;propan-2-yl formate?
6-(1-methoxyethenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;propan-2-yl formate has a molecular weight of 291.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxyethenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine;propan-2-yl formate is sourced from PubChem (CID 143036214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).