6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

C18H29N3O — CID 82188101

IUPAC6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1ccc2c(c1)C(N)C(CN1CCN(CC)CC1)CO2
InChIInChI=1S/C18H29N3O/c1-3-14-5-6-17-16(11-14)18(19)15(13-22-17)12-21-9-7-20(4-2)8-10-21/h5-6,11,15,18H,3-4,7-10,12-13,19H2,1-2H3
InChIKeyAYVOKULBYRNJAB-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.89
Rot. Bonds4

About 6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82188101) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID82188101
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1ccc2c(c1)C(N)C(CN1CCN(CC)CC1)CO2
InChIInChI=1S/C18H29N3O/c1-3-14-5-6-17-16(11-14)18(19)15(13-22-17)12-21-9-7-20(4-2)8-10-21/h5-6,11,15,18H,3-4,7-10,12-13,19H2,1-2H3
InChIKeyAYVOKULBYRNJAB-UHFFFAOYSA-N
XLogP1.89
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 82188101) is 6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is CCc1ccc2c(c1)C(N)C(CN1CCN(CC)CC1)CO2.
What is the InChIKey of 6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AYVOKULBYRNJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-14-5-6-17-16(11-14)18(19)15(13-22-17)12-21-9-7-20(4-2)8-10-21/h5-6,11,15,18H,3-4,7-10,12-13,19H2,1-2H3.
What are the key properties of 6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 303.45 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82188101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).