cyclohepta-2,4,6-trien-1-ylmethanamine

C8H11N — CID 55256059

IUPACcyclohepta-2,4,6-trien-1-ylmethanamine
SMILESNCC1C=CC=CC=C1
InChIInChI=1S/C8H11N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H,7,9H2
InChIKeyXCRIZRXIQDRNEU-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.24
Rot. Bonds1

About cyclohepta-2,4,6-trien-1-ylmethanamine

cyclohepta-2,4,6-trien-1-ylmethanamine (PubChem CID 55256059) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is cyclohepta-2,4,6-trien-1-ylmethanamine.

Molecular Properties

Compound Namecyclohepta-2,4,6-trien-1-ylmethanamine
PubChem CID55256059
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Namecyclohepta-2,4,6-trien-1-ylmethanamine
SMILESNCC1C=CC=CC=C1
InChIInChI=1S/C8H11N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H,7,9H2
InChIKeyXCRIZRXIQDRNEU-UHFFFAOYSA-N
XLogP1.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohepta-2,4,6-trien-1-ylmethanamine?
The IUPAC name of cyclohepta-2,4,6-trien-1-ylmethanamine (CID 55256059) is cyclohepta-2,4,6-trien-1-ylmethanamine.
What is the SMILES notation for cyclohepta-2,4,6-trien-1-ylmethanamine?
The canonical SMILES for cyclohepta-2,4,6-trien-1-ylmethanamine is NCC1C=CC=CC=C1.
What is the InChIKey of cyclohepta-2,4,6-trien-1-ylmethanamine?
The InChIKey is XCRIZRXIQDRNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H,7,9H2.
What are the key properties of cyclohepta-2,4,6-trien-1-ylmethanamine?
cyclohepta-2,4,6-trien-1-ylmethanamine has a molecular weight of 121.18 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-2,4,6-trien-1-ylmethanamine is sourced from PubChem (CID 55256059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).