5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C16H24N2O — CID 82188162

IUPAC5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(C)c2c(c1)OCC(CN1CCCC1)C2N
InChIInChI=1S/C16H24N2O/c1-11-7-12(2)15-14(8-11)19-10-13(16(15)17)9-18-5-3-4-6-18/h7-8,13,16H,3-6,9-10,17H2,1-2H3
InChIKeyGXJVIBJAEXYSOX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.41
Rot. Bonds2

About 5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82188162) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82188162
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(C)c2c(c1)OCC(CN1CCCC1)C2N
InChIInChI=1S/C16H24N2O/c1-11-7-12(2)15-14(8-11)19-10-13(16(15)17)9-18-5-3-4-6-18/h7-8,13,16H,3-6,9-10,17H2,1-2H3
InChIKeyGXJVIBJAEXYSOX-UHFFFAOYSA-N
XLogP2.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 82188162) is 5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is Cc1cc(C)c2c(c1)OCC(CN1CCCC1)C2N.
What is the InChIKey of 5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is GXJVIBJAEXYSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-7-12(2)15-14(8-11)19-10-13(16(15)17)9-18-5-3-4-6-18/h7-8,13,16H,3-6,9-10,17H2,1-2H3.
What are the key properties of 5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82188162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).