N-(2-ethoxyethyl)-N,4-dimethylcyclohepta-1,4,6-trien-1-amine;yttrium

C13H21NOY — CID 142097116

IUPACN-(2-ethoxyethyl)-N,4-dimethylcyclohepta-1,4,6-trien-1-amine;yttrium
SMILESCCOCCN(C)C1=CCC(C)=CC=C1.[Y]
InChIInChI=1S/C13H21NO.Y/c1-4-15-11-10-14(3)13-7-5-6-12(2)8-9-13;/h5-7,9H,4,8,10-11H2,1-3H3;
InChIKeyNNVIOOGFAVEWTA-UHFFFAOYSA-N
MW296.22 g/mol
LogP2.74
Rot. Bonds5

About N-(2-ethoxyethyl)-N,4-dimethylcyclohepta-1,4,6-trien-1-amine;yttrium

N-(2-ethoxyethyl)-N,4-dimethylcyclohepta-1,4,6-trien-1-amine;yttrium (PubChem CID 142097116) has the molecular formula C13H21NOY and a molecular weight of 296.22 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N,4-dimethylcyclohepta-1,4,6-trien-1-amine;yttrium.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N,4-dimethylcyclohepta-1,4,6-trien-1-amine;yttrium
PubChem CID142097116
Molecular FormulaC13H21NOY
Molecular Weight296.22 g/mol
Exact Mass296.07
IUPAC NameN-(2-ethoxyethyl)-N,4-dimethylcyclohepta-1,4,6-trien-1-amine;yttrium
SMILESCCOCCN(C)C1=CCC(C)=CC=C1.[Y]
InChIInChI=1S/C13H21NO.Y/c1-4-15-11-10-14(3)13-7-5-6-12(2)8-9-13;/h5-7,9H,4,8,10-11H2,1-3H3;
InChIKeyNNVIOOGFAVEWTA-UHFFFAOYSA-N
XLogP2.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N,4-dimethylcyclohepta-1,4,6-trien-1-amine;yttrium?
The IUPAC name of N-(2-ethoxyethyl)-N,4-dimethylcyclohepta-1,4,6-trien-1-amine;yttrium (CID 142097116) is N-(2-ethoxyethyl)-N,4-dimethylcyclohepta-1,4,6-trien-1-amine;yttrium.
What is the SMILES notation for N-(2-ethoxyethyl)-N,4-dimethylcyclohepta-1,4,6-trien-1-amine;yttrium?
The canonical SMILES for N-(2-ethoxyethyl)-N,4-dimethylcyclohepta-1,4,6-trien-1-amine;yttrium is CCOCCN(C)C1=CCC(C)=CC=C1.[Y].
What is the InChIKey of N-(2-ethoxyethyl)-N,4-dimethylcyclohepta-1,4,6-trien-1-amine;yttrium?
The InChIKey is NNVIOOGFAVEWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.Y/c1-4-15-11-10-14(3)13-7-5-6-12(2)8-9-13;/h5-7,9H,4,8,10-11H2,1-3H3;.
What are the key properties of N-(2-ethoxyethyl)-N,4-dimethylcyclohepta-1,4,6-trien-1-amine;yttrium?
N-(2-ethoxyethyl)-N,4-dimethylcyclohepta-1,4,6-trien-1-amine;yttrium has a molecular weight of 296.22 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N,4-dimethylcyclohepta-1,4,6-trien-1-amine;yttrium is sourced from PubChem (CID 142097116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).