N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium

C13H18NOY- — CID 58999634

IUPACN-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium
SMILESCCNCC1CCc2ccc(C)[c-]c2O1.[Y]
InChIInChI=1S/C13H18NO.Y/c1-3-14-9-12-7-6-11-5-4-10(2)8-13(11)15-12;/h4-5,12,14H,3,6-7,9H2,1-2H3;/q-1;
InChIKeyXKVUPLOGUUVYBH-UHFFFAOYSA-N
MW293.20 g/mol
LogP2.10
Rot. Bonds3

About N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium

N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium (PubChem CID 58999634) has the molecular formula C13H18NOY- and a molecular weight of 293.20 g/mol. Its IUPAC name is N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium.

Molecular Properties

Compound NameN-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium
PubChem CID58999634
Molecular FormulaC13H18NOY-
Molecular Weight293.20 g/mol
Exact Mass293.05
IUPAC NameN-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium
SMILESCCNCC1CCc2ccc(C)[c-]c2O1.[Y]
InChIInChI=1S/C13H18NO.Y/c1-3-14-9-12-7-6-11-5-4-10(2)8-13(11)15-12;/h4-5,12,14H,3,6-7,9H2,1-2H3;/q-1;
InChIKeyXKVUPLOGUUVYBH-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-Methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methanamine;yttrium
CID 58999611
N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]propanamide;yttrium
CID 58999636
1-(2,3,4,6-Tetrahydrochromen-6-id-2-ylmethylamino)butan-2-ol;yttrium
CID 59060853
1-(3,5-dihydro-2H-1-benzofuran-5-id-2-yl)-N-methylmethanamine;yttrium
CID 59106162
2,3,4,6-Tetrahydrochromen-6-id-2-ylmethanamine;yttrium
CID 59118243
N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine
CID 70997088
4-propan-2-yl-5,6,7,8-tetrahydro-2H-pyrano[2,3-c]pyridine
CID 123982386
3-[(3E)-4-ethylhexa-1,3,5-trien-3-yl]oxypiperidine
CID 141863490
ethane;7-methyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazine
CID 143176155
N-[(5-ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)methyl]propan-1-amine
CID 145138564
N-[[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
CID 145138582
Molecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline
CID 176923381

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium?
The IUPAC name of N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium (CID 58999634) is N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium.
What is the SMILES notation for N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium?
The canonical SMILES for N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium is CCNCC1CCc2ccc(C)[c-]c2O1.[Y].
What is the InChIKey of N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium?
The InChIKey is XKVUPLOGUUVYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO.Y/c1-3-14-9-12-7-6-11-5-4-10(2)8-13(11)15-12;/h4-5,12,14H,3,6-7,9H2,1-2H3;/q-1;.
What are the key properties of N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium?
N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium has a molecular weight of 293.20 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-2,3,4,8-tetrahydrochromen-8-id-2-yl)methyl]ethanamine;yttrium is sourced from PubChem (CID 58999634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).