5,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine

C16H25N3O — CID 82626301

IUPAC5,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine
SMILESCc1ccc(C)c2c1OCC(N)C2N1CCN(C)CC1
InChIInChI=1S/C16H25N3O/c1-11-4-5-12(2)16-14(11)15(13(17)10-20-16)19-8-6-18(3)7-9-19/h4-5,13,15H,6-10,17H2,1-3H3
InChIKeyQWDUGIBQODAFKA-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.31
Rot. Bonds1

About 5,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine

5,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine (PubChem CID 82626301) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name5,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine
PubChem CID82626301
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine
SMILESCc1ccc(C)c2c1OCC(N)C2N1CCN(C)CC1
InChIInChI=1S/C16H25N3O/c1-11-4-5-12(2)16-14(11)15(13(17)10-20-16)19-8-6-18(3)7-9-19/h4-5,13,15H,6-10,17H2,1-3H3
InChIKeyQWDUGIBQODAFKA-UHFFFAOYSA-N
XLogP1.31
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of 5,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine (CID 82626301) is 5,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for 5,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for 5,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine is Cc1ccc(C)c2c1OCC(N)C2N1CCN(C)CC1.
What is the InChIKey of 5,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is QWDUGIBQODAFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-4-5-12(2)16-14(11)15(13(17)10-20-16)19-8-6-18(3)7-9-19/h4-5,13,15H,6-10,17H2,1-3H3.
What are the key properties of 5,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine?
5,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 275.40 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 82626301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).