4-(methoxymethyl)-N-methylcyclohepta-1,3,5-trien-1-amine

C10H15NO — CID 139566586

IUPAC4-(methoxymethyl)-N-methylcyclohepta-1,3,5-trien-1-amine
SMILESCNC1=CC=C(COC)C=CC1
InChIInChI=1S/C10H15NO/c1-11-10-5-3-4-9(6-7-10)8-12-2/h3-4,6-7,11H,5,8H2,1-2H3
InChIKeyYVVGELMIDCPMCZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.62
Rot. Bonds3

About 4-(methoxymethyl)-N-methylcyclohepta-1,3,5-trien-1-amine

4-(methoxymethyl)-N-methylcyclohepta-1,3,5-trien-1-amine (PubChem CID 139566586) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-methylcyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-N-methylcyclohepta-1,3,5-trien-1-amine
PubChem CID139566586
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-(methoxymethyl)-N-methylcyclohepta-1,3,5-trien-1-amine
SMILESCNC1=CC=C(COC)C=CC1
InChIInChI=1S/C10H15NO/c1-11-10-5-3-4-9(6-7-10)8-12-2/h3-4,6-7,11H,5,8H2,1-2H3
InChIKeyYVVGELMIDCPMCZ-UHFFFAOYSA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-methylcyclohepta-1,3,5-trien-1-amine?
The IUPAC name of 4-(methoxymethyl)-N-methylcyclohepta-1,3,5-trien-1-amine (CID 139566586) is 4-(methoxymethyl)-N-methylcyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for 4-(methoxymethyl)-N-methylcyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for 4-(methoxymethyl)-N-methylcyclohepta-1,3,5-trien-1-amine is CNC1=CC=C(COC)C=CC1.
What is the InChIKey of 4-(methoxymethyl)-N-methylcyclohepta-1,3,5-trien-1-amine?
The InChIKey is YVVGELMIDCPMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-11-10-5-3-4-9(6-7-10)8-12-2/h3-4,6-7,11H,5,8H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-N-methylcyclohepta-1,3,5-trien-1-amine?
4-(methoxymethyl)-N-methylcyclohepta-1,3,5-trien-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-methylcyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 139566586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).