1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium

C14H20NO2Y- — CID 59060853

IUPAC1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium
SMILESCCC(O)CNCC1CCc2c[c-]ccc2O1.[Y]
InChIInChI=1S/C14H20NO2.Y/c1-2-12(16)9-15-10-13-8-7-11-5-3-4-6-14(11)17-13;/h4-6,12-13,15-16H,2,7-10H2,1H3;/q-1;
InChIKeyBXFHLQRYTWCUCY-UHFFFAOYSA-N
MW323.23 g/mol
LogP1.54
Rot. Bonds5

About 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium

1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium (PubChem CID 59060853) has the molecular formula C14H20NO2Y- and a molecular weight of 323.23 g/mol. Its IUPAC name is 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium.

Molecular Properties

Compound Name1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium
PubChem CID59060853
Molecular FormulaC14H20NO2Y-
Molecular Weight323.23 g/mol
Exact Mass323.06
IUPAC Name1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium
SMILESCCC(O)CNCC1CCc2c[c-]ccc2O1.[Y]
InChIInChI=1S/C14H20NO2.Y/c1-2-12(16)9-15-10-13-8-7-11-5-3-4-6-14(11)17-13;/h4-6,12-13,15-16H,2,7-10H2,1H3;/q-1;
InChIKeyBXFHLQRYTWCUCY-UHFFFAOYSA-N
XLogP1.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium
CID 58999634
N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium
CID 58999636
2,3,4,6-Tetrahydrochromen-1-ium-6-id-2-ylmethanamine;yttrium
CID 59060836
N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine
CID 70997088
(3R,4R)-3-(propylamino)-2,3,4,5-tetrahydrocyclopenta[g]chromen-4-ol
CID 88205574
1-(6,7-Dihydronaphthalen-1-yloxy)-3-(pentylamino)propan-2-ol;ethane
CID 141906310
2-Ethyloxirane;2,3,4,6-tetrahydrochromen-6-id-2-ylmethanamine;1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;bis(yttrium)
CID 157716782
2-Ethyloxirane;1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;2,3,4,6-tetrahydrochromen-1-ium-6-id-2-ylmethanamine;bis(yttrium)
CID 157716783
1-(2,3,4,6-Tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium(3+)
CID 20627832
1-(6,7-Dihydronaphthalen-1-yloxy)-3-(pentylamino)propan-2-ol
CID 141906311

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium?
The IUPAC name of 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium (CID 59060853) is 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium.
What is the SMILES notation for 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium?
The canonical SMILES for 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium is CCC(O)CNCC1CCc2c[c-]ccc2O1.[Y].
What is the InChIKey of 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium?
The InChIKey is BXFHLQRYTWCUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20NO2.Y/c1-2-12(16)9-15-10-13-8-7-11-5-3-4-6-14(11)17-13;/h4-6,12-13,15-16H,2,7-10H2,1H3;/q-1;.
What are the key properties of 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium?
1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium has a molecular weight of 323.23 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,6-tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium is sourced from PubChem (CID 59060853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).