4-(methoxymethyl)-1-methylcyclohepta-2,4,6-trien-1-amine

C10H15NO — CID 123550662

IUPAC4-(methoxymethyl)-1-methylcyclohepta-2,4,6-trien-1-amine
SMILESCOCC1=CC=CC(C)(N)C=C1
InChIInChI=1S/C10H15NO/c1-10(11)6-3-4-9(5-7-10)8-12-2/h3-7H,8,11H2,1-2H3
InChIKeyIZFZCPGXUABZFD-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.40
Rot. Bonds2

About 4-(methoxymethyl)-1-methylcyclohepta-2,4,6-trien-1-amine

4-(methoxymethyl)-1-methylcyclohepta-2,4,6-trien-1-amine (PubChem CID 123550662) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-methylcyclohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-methylcyclohepta-2,4,6-trien-1-amine
PubChem CID123550662
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-(methoxymethyl)-1-methylcyclohepta-2,4,6-trien-1-amine
SMILESCOCC1=CC=CC(C)(N)C=C1
InChIInChI=1S/C10H15NO/c1-10(11)6-3-4-9(5-7-10)8-12-2/h3-7H,8,11H2,1-2H3
InChIKeyIZFZCPGXUABZFD-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-methylcyclohepta-2,4,6-trien-1-amine?
The IUPAC name of 4-(methoxymethyl)-1-methylcyclohepta-2,4,6-trien-1-amine (CID 123550662) is 4-(methoxymethyl)-1-methylcyclohepta-2,4,6-trien-1-amine.
What is the SMILES notation for 4-(methoxymethyl)-1-methylcyclohepta-2,4,6-trien-1-amine?
The canonical SMILES for 4-(methoxymethyl)-1-methylcyclohepta-2,4,6-trien-1-amine is COCC1=CC=CC(C)(N)C=C1.
What is the InChIKey of 4-(methoxymethyl)-1-methylcyclohepta-2,4,6-trien-1-amine?
The InChIKey is IZFZCPGXUABZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(11)6-3-4-9(5-7-10)8-12-2/h3-7H,8,11H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-1-methylcyclohepta-2,4,6-trien-1-amine?
4-(methoxymethyl)-1-methylcyclohepta-2,4,6-trien-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-methylcyclohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 123550662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).