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

C12H19NOY — CID 142097114

IUPACN-(2-ethoxyethyl)-4-methylcyclohepta-1,4,6-trien-1-amine;yttrium
SMILESCCOCCNC1=CCC(C)=CC=C1.[Y]
InChIInChI=1S/C12H19NO.Y/c1-3-14-10-9-13-12-6-4-5-11(2)7-8-12;/h4-6,8,13H,3,7,9-10H2,1-2H3;
InChIKeyCHWVTYFUCBDKST-UHFFFAOYSA-N
MW282.20 g/mol
LogP2.40
Rot. Bonds5

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

N-(2-ethoxyethyl)-4-methylcyclohepta-1,4,6-trien-1-amine;yttrium (PubChem CID 142097114) has the molecular formula C12H19NOY and a molecular weight of 282.20 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-methylcyclohepta-1,4,6-trien-1-amine;yttrium.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-methylcyclohepta-1,4,6-trien-1-amine;yttrium
PubChem CID142097114
Molecular FormulaC12H19NOY
Molecular Weight282.20 g/mol
Exact Mass282.05
IUPAC NameN-(2-ethoxyethyl)-4-methylcyclohepta-1,4,6-trien-1-amine;yttrium
SMILESCCOCCNC1=CCC(C)=CC=C1.[Y]
InChIInChI=1S/C12H19NO.Y/c1-3-14-10-9-13-12-6-4-5-11(2)7-8-12;/h4-6,8,13H,3,7,9-10H2,1-2H3;
InChIKeyCHWVTYFUCBDKST-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
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)-4-methylcyclohepta-1,4,6-trien-1-amine;yttrium?
The IUPAC name of N-(2-ethoxyethyl)-4-methylcyclohepta-1,4,6-trien-1-amine;yttrium (CID 142097114) is N-(2-ethoxyethyl)-4-methylcyclohepta-1,4,6-trien-1-amine;yttrium.
What is the SMILES notation for N-(2-ethoxyethyl)-4-methylcyclohepta-1,4,6-trien-1-amine;yttrium?
The canonical SMILES for N-(2-ethoxyethyl)-4-methylcyclohepta-1,4,6-trien-1-amine;yttrium is CCOCCNC1=CCC(C)=CC=C1.[Y].
What is the InChIKey of N-(2-ethoxyethyl)-4-methylcyclohepta-1,4,6-trien-1-amine;yttrium?
The InChIKey is CHWVTYFUCBDKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.Y/c1-3-14-10-9-13-12-6-4-5-11(2)7-8-12;/h4-6,8,13H,3,7,9-10H2,1-2H3;.
What are the key properties of N-(2-ethoxyethyl)-4-methylcyclohepta-1,4,6-trien-1-amine;yttrium?
N-(2-ethoxyethyl)-4-methylcyclohepta-1,4,6-trien-1-amine;yttrium has a molecular weight of 282.20 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-methylcyclohepta-1,4,6-trien-1-amine;yttrium is sourced from PubChem (CID 142097114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).